data_1wlm_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 1wlm _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 ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.61 -27.38 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 tp -55.85 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 7.5 tt0 -48.17 -28.15 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -68.08 -40.51 82.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -75.46 -44.97 41.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -50.03 -53.65 25.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -45.99 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 92.3 mttt -53.81 -56.21 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 38.5 m-85 -65.87 -31.55 72.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.36 -47.91 74.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 pt -92.0 14.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.493 ' CD2' ' HE2' ' A' ' 44' ' ' LYS . 5.7 t-80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.598 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -105.1 -26.65 12.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 77' ' ' ILE . 6.7 mm-40 -125.33 157.83 35.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 ttm -138.88 122.06 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.08 143.41 47.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.673 ' CA ' ' CE1' ' A' ' 66' ' ' PHE . . . -55.45 -27.44 47.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -68.78 -37.5 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.48 -39.31 20.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.547 ' CZ2' ' HB2' ' A' ' 85' ' ' ALA . 1.7 t-105 -54.34 -58.67 6.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.7 -49.02 66.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.493 ' HE2' ' CD2' ' A' ' 27' ' ' HIS . 16.4 tttt -55.3 -47.77 75.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 10.6 tp -57.1 -29.28 63.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' ALA . 75.6 m -87.49 9.73 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' CD ' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.91 -55.29 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.45 -35.16 76.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 68.0 m -83.15 4.22 27.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.78 48.18 23.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.9 t -92.89 -33.91 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -102.03 80.22 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.21 -37.16 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 57' ' ' VAL . . . 112.57 -30.57 7.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -78.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -67.89 -40.42 83.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 23.0 t -113.88 121.85 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' ASP . 18.5 p -112.47 141.49 46.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.42 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -43.63 -25.04 0.49 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 58' ' ' THR . 2.2 m -76.81 -39.76 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.37 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -64.26 -46.81 82.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.472 ' CG2' HD12 ' A' ' 89' ' ' LEU . 4.4 p -63.04 -36.97 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.32 -40.25 95.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mt -69.98 -51.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.48 HG11 ' CB ' ' A' ' 85' ' ' ALA . 4.5 t -53.0 -44.62 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.673 ' CE1' ' CA ' ' A' ' 39' ' ' GLY . 35.9 t80 -59.17 -35.29 73.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.441 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -90.08 -1.82 58.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -23.33 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 81' ' ' GLU . 8.8 m -88.79 -44.95 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 5.1 pttt -75.59 -164.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -123.19 153.29 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -20.96 4.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.9 t -85.51 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.47 151.95 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -113.7 -16.64 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.408 ' C ' ' OE1' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -116.98 175.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.57 HG22 ' CE1' ' A' ' 66' ' ' PHE . 10.3 pt -126.76 156.67 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -109.55 158.79 17.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 10.6 t80 -40.84 -49.1 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -50.87 -48.49 60.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 35.3 mt-10 -72.43 -41.88 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 56.7 t80 -51.83 -50.95 59.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -62.0 -28.54 69.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -64.64 -45.42 86.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.45 -43.29 97.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 46.5 mt -56.56 -39.12 72.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 3.8 mm-40 -63.79 -38.65 91.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -73.63 -29.38 62.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 40.3 mt -97.9 1.97 48.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -79.05 -55.33 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.6 p -77.29 -20.93 54.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 13.0 mtpt -83.44 -30.24 27.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 20.4 tpt85 -80.56 -65.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.576 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 72.0 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -42.01 65.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.24 -51.05 11.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -55.46 -53.17 59.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.57 77.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 69.7 t80 -60.65 -41.17 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -26.69 61.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.576 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . . . -72.19 -42.26 66.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 107' ' ' CYS . 9.9 tt -71.22 -28.05 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 106' ' ' ILE . 94.7 m -72.55 -33.3 66.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 108.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.35 -12.45 56.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.5 mt -88.22 -34.36 17.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 113' ' ' LYS . 6.8 mt -92.42 -65.47 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.31 111.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.02 -42.46 1.94 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -71.25 149.13 46.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 23' ' ' LYS . 4.8 mt-10 -121.41 158.5 53.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.568 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 148.42 -18.38 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' SER . 43.4 tp -52.48 -72.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 0.727 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -47.94 -25.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -77.61 -35.63 52.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 30.0 m -78.51 -42.38 29.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE1' ' CG ' ' A' ' 82' ' ' PHE . 27.9 t80 -56.9 -51.01 70.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -45.11 42.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -49.82 -56.23 11.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CD1' HD12 ' A' ' 45' ' ' LEU . 50.1 m-85 -65.72 -32.37 73.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.4 -47.51 83.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.8 pt -91.37 13.13 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -114.24 -13.53 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.4 153.86 46.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 77' ' ' ILE . 36.0 ttm -138.57 134.41 33.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -83.79 143.22 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.598 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -49.72 -21.75 3.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -76.42 -40.78 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.734 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -80.85 -21.16 40.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.476 ' CZ2' HG21 ' A' ' 62' ' ' VAL . 5.1 t-105 -75.4 -56.04 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.81 -49.05 76.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -57.05 -47.51 80.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.572 HD12 ' CD1' ' A' ' 24' ' ' PHE . 10.5 tp -57.17 -30.57 64.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 74.1 m -84.6 5.19 28.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.13 -47.54 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.59 -35.72 80.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 91.0 m -87.04 8.33 23.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.88 51.09 16.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -94.82 -31.75 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -105.96 75.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -48.95 -35.53 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.5 -31.59 7.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -77.58 -76.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.796 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -66.27 -42.08 88.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.23 120.86 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 61' ' ' ASP . 36.7 p -111.96 141.56 45.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -44.86 -24.02 0.68 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.441 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 1.1 m -70.61 -34.94 72.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -75.7 -52.13 11.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.476 HG21 ' CZ2' ' A' ' 42' ' ' TRP . 4.2 p -58.89 -35.85 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -67.97 -48.74 65.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 60' ' ' THR . 23.4 mt -64.65 -48.74 83.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.52 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 5.8 t -52.54 -47.82 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.598 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 31.8 t80 -57.24 -31.56 65.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.62 -8.37 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.95 -9.94 27.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.2 m -105.71 -24.89 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 -168.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.87 153.29 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -20.52 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -84.96 -55.6 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.38 156.25 23.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -128.04 4.01 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.14 160.47 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 37' ' ' MET . 22.4 pt -118.14 152.16 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -103.13 159.31 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 13.1 t80 -41.84 -28.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.94 -49.06 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 81' ' ' GLU . 3.1 mp0 -76.77 -15.32 59.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.581 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 17.2 t80 -82.03 -36.07 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -73.48 -27.26 61.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -63.24 -46.67 85.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.52 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -61.37 -44.61 96.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.581 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 63.4 mt -53.88 -42.43 68.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 2.9 mt-10 -60.45 -43.44 96.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.426 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 15.1 mm-40 -69.02 -26.54 65.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 38.3 mt -99.62 1.86 44.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.53 -54.47 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.9 p -77.02 -21.33 54.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 12.1 mtpt -84.03 -28.16 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 27.5 tpt85 -82.67 -64.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 72.1 m-85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -48.78 -47.23 42.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.27 -50.16 42.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.44 -51.71 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.38 78.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 38.1 t80 -67.08 -40.32 86.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.0 -22.38 60.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . . . -80.61 -42.32 22.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 107' ' ' CYS . 10.2 tt -75.51 -33.18 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.43 ' N ' HG22 ' A' ' 106' ' ' ILE . 3.1 m -68.18 -31.19 70.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -74.44 -14.86 60.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.509 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 71.6 mt -78.55 -26.04 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 113' ' ' LYS . 6.5 mt -98.51 -62.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.38 115.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.72 -42.01 2.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.3 mttt -73.08 165.89 24.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -152.08 156.8 34.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.55 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.9 -26.43 0.25 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' SER . 50.2 tp -57.88 -81.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 6.5 tt0 -47.18 -25.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -74.01 -39.15 63.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LEU . 10.5 p -78.11 -45.19 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.46 -52.24 39.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -49.78 -48.22 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' SER . 74.3 mttt -49.23 -50.54 38.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 115' ' ' PRO . 41.7 m-85 -69.99 -31.37 69.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.64 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' HIS . 1.6 pt -92.15 13.34 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' ILE . 31.8 t-80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -114.81 -14.99 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.791 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 77' ' ' ILE . 8.3 mm-40 -136.29 158.19 45.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.2 ttm -138.31 121.08 16.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.3 m-20 -76.41 143.15 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.537 ' CA ' ' CE1' ' A' ' 66' ' ' PHE . . . -46.92 -29.29 4.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -38.65 78.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 73.4 m-20 -81.42 -29.55 33.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.606 ' CZ3' ' SG ' ' A' ' 46' ' ' CYS . 5.0 t-105 -69.99 -67.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.03 -47.74 8.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -58.4 -49.06 78.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . 13.5 tp -59.04 -27.59 65.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.606 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 57.5 m -92.18 23.16 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.349 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -134.69 -54.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.44 -38.56 87.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.8 m -76.31 -3.29 35.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.16 39.6 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.152 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.7 t -87.2 -37.45 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -101.29 84.64 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 93' ' ' ARG . 54.5 t0 -59.24 -35.36 73.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.14 -28.28 9.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.53 -75.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -66.33 -41.17 90.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t -116.3 120.11 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' ASP . 29.3 p -108.28 141.37 40.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.95 -24.38 0.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m -76.96 -36.61 56.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -68.26 -47.01 68.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.178 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.481 ' CG2' HD12 ' A' ' 89' ' ' LEU . 5.0 p -62.85 -41.08 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -41.18 83.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 mt -70.55 -47.93 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 5.1 t -54.35 -47.73 69.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CE1' ' CA ' ' A' ' 39' ' ' GLY . 44.2 t80 -57.96 -34.98 70.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.33 -2.07 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.428 ' CE ' ' HA ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -99.55 -21.36 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.2 m -93.36 -28.13 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -101.0 177.38 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.67 151.82 23.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.15 -23.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -82.56 -66.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.3 143.22 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -114.04 6.43 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.403 ' C ' ' OE1' ' A' ' 36' ' ' GLU . 3.7 m -139.96 170.11 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 23.3 pt -127.55 155.46 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' GLU . 19.0 p-10 -110.18 155.69 21.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 18' ' ' GLU . 16.8 t80 -41.33 -32.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.52 -45.77 82.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' ASN . 41.4 mt-10 -79.14 -38.92 34.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 15.1 t80 -57.37 -34.93 69.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.08 -30.03 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -66.93 -41.49 86.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.574 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -64.41 -43.95 92.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.56 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 45.5 mt -57.01 -36.98 71.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.572 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 4.3 mt-10 -64.96 -39.37 93.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -72.03 -25.44 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 63.2 mt -99.46 -5.42 29.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -66.52 -59.37 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.5 p -77.47 -38.37 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.399 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 13.5 mtpt -62.44 -13.49 30.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 24.1 tpt85 -108.68 -55.51 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 105' ' ' ALA . 70.3 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -56.46 -44.11 80.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -73.35 -52.95 12.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.59 -51.56 66.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.86 -57.14 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 40.0 t80 -55.23 -41.91 72.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -21.73 66.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.57 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -84.11 -45.81 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 107' ' ' CYS . 5.2 tt -68.2 -29.04 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 12.6 m -72.05 -24.22 61.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -79.83 -15.06 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.44 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 52.9 mt -84.56 -31.0 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 113' ' ' LYS . 5.9 mt -97.15 -62.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -43.82 112.33 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.0 -37.54 3.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 110' ' ' ILE . 3.4 mttm -76.03 169.21 18.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.2 pm0 -151.86 156.73 34.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.9 -27.38 0.23 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 20' ' ' SER . 60.1 tp -54.36 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -46.91 -26.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.46 -38.72 65.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 17' ' ' LEU . 9.7 p -76.1 -45.9 31.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' CD1' ' CG ' ' A' ' 82' ' ' PHE . 19.8 t80 -51.88 -50.9 60.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -48.42 67.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 14.9 mttm -50.06 -42.88 50.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 29.8 m-85 -82.53 -22.92 34.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -73.02 -47.71 42.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 pt -91.83 16.27 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -113.75 -15.37 12.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -136.37 154.13 50.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 19.2 ttm -139.74 117.41 11.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.45 ' ND2' ' CG1' ' A' ' 76' ' ' VAL . 1.8 m120 -72.94 143.37 47.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.624 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.72 -39.23 23.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -61.55 -27.6 68.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -92.18 -32.3 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.498 ' CZ2' ' HB2' ' A' ' 85' ' ' ALA . 2.2 t-105 -70.41 -66.2 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.3 -51.98 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -54.14 -36.66 63.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.577 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . 11.6 tp -71.03 -27.15 63.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 52' ' ' ALA . 58.7 m -92.97 24.89 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 -63.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.24 -39.06 78.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.0 m -71.63 -6.36 40.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt 67.37 42.11 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.4 t -92.8 -32.42 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -109.98 83.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -61.96 -32.01 72.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.455 ' O ' ' CG2' ' A' ' 58' ' ' THR . . . 114.46 -31.77 6.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.433 1.083 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -83.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 0.793 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.15 -41.94 72.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.45 118.7 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.5 p -108.62 141.92 39.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -44.8 -23.97 0.66 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.426 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 1.2 m -72.84 -34.45 66.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.757 . . . . 0.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -75.09 -50.44 16.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.402 ' CG2' HD13 ' A' ' 89' ' ' LEU . 4.3 p -60.04 -36.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.11 -42.69 93.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.426 ' CD1' ' O ' ' A' ' 60' ' ' THR . 23.9 mt -70.04 -46.46 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.558 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 4.7 t -54.67 -51.32 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.624 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 6.7 t80 -60.08 -31.12 69.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.427 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -88.44 -9.07 53.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -95.66 -43.04 8.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -66.94 -33.01 60.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 5.5 pttp -86.9 -173.29 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -114.09 165.43 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.93 -13.51 57.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.9 -64.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.04 148.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -111.86 -18.36 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.45 ' CG1' ' ND2' ' A' ' 38' ' ' ASN . 8.8 m -116.35 -176.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 pt -130.65 149.06 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.19 160.02 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.494 ' CZ ' ' HD3' ' A' ' 83' ' ' LYS . 16.0 t80 -43.91 -58.48 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.66 -34.7 12.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -82.46 -31.85 29.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 43.7 t80 -63.68 -32.78 74.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.494 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 4.0 mtmt -77.34 -26.25 51.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -43.72 89.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.558 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -67.59 -42.68 82.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 35.1 mt -56.75 -42.88 80.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.533 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -60.1 -39.78 87.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 57.5 mm-40 -70.74 -30.76 67.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 55.7 mt -93.43 -3.01 53.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -76.58 -58.12 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.4 p -77.33 -20.0 55.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 88' ' ' GLU . 23.3 mtpt -84.01 -19.1 35.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 5.7 tpt180 -99.46 -66.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 105' ' ' ALA . 78.6 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -40.94 97.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.98 -52.61 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.17 -51.88 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -54.55 -50.4 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.533 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 53.7 t80 -64.97 -37.99 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -21.86 66.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.577 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -85.14 -47.77 9.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 107' ' ' CYS . 4.8 tt -63.61 -30.02 48.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 22.5 m -71.16 -25.35 62.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 108.291 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -79.15 -12.03 59.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.443 HD13 ' CE2' ' A' ' 94' ' ' PHE . 34.1 mt -88.14 -34.37 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 113' ' ' LYS . 5.1 mt -97.37 -65.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -40.95 112.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.89 -41.47 2.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -71.19 158.78 35.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.69 156.13 78.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.52 0.28 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 tp -56.87 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -47.39 -29.35 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -71.19 -42.01 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 t -75.0 -46.49 34.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -52.12 -50.35 61.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -47.56 43.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 17.7 mttm -51.2 -47.87 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 115' ' ' PRO . 49.2 m-85 -75.14 -29.81 60.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.66 -47.83 77.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 10.6 pt -92.91 15.09 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CE1' ' HE2' ' A' ' 44' ' ' LYS . 12.0 t-80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.596 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -115.4 -14.16 11.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -141.39 154.31 45.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.407 ' HE3' ' CD2' ' A' ' 45' ' ' LEU . 29.5 ttm -136.31 117.26 14.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.463 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -73.17 144.31 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.635 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -50.76 -36.92 33.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -61.87 -31.88 72.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -87.36 -38.17 16.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ3' ' SG ' ' A' ' 46' ' ' CYS . 4.2 t-105 -60.93 -64.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.34 -49.67 33.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 27' ' ' HIS . 12.4 tttt -56.64 -39.6 73.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . 13.7 tp -68.61 -26.43 65.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.598 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 14.4 m -91.59 27.41 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 -52.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -61.9 -36.64 81.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.5 m -79.86 0.13 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.33 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt 67.1 41.16 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -87.69 -40.78 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -97.24 -177.16 3.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -169.1 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.69 -19.34 7.96 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.22 -78.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.46 84.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.9 t -123.54 122.55 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 p -105.81 140.77 38.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.44 -20.57 2.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.419 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 1.4 m -77.12 -27.58 54.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.51 -46.89 16.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.467 HG22 ' CZ2' ' A' ' 42' ' ' TRP . 4.0 p -60.4 -37.08 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -47.04 75.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.419 ' CD1' ' O ' ' A' ' 60' ' ' THR . 25.2 mt -64.97 -48.13 85.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 5.4 t -53.88 -50.86 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.635 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 6.0 t80 -59.95 -27.53 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.412 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -90.61 -12.08 38.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -90.77 -41.73 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' A' ' 77' ' ' ILE . 11.8 m -68.39 -45.79 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 4.5 pttp -71.59 -175.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -121.68 147.49 45.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' ALA . 1.8 ttmm -40.29 -29.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -79.03 -73.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.68 148.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -114.41 -16.23 11.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.456 ' CG2' ' HG2' ' A' ' 36' ' ' GLU . 34.6 m -119.93 -175.36 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 69' ' ' VAL . 1.8 pt -133.41 148.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 81' ' ' GLU . 8.9 p-10 -104.43 157.72 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 14.0 t80 -40.89 -35.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.6 -48.51 77.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -75.46 -39.24 58.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.571 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 23.2 t80 -57.77 -34.15 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -29.35 63.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -69.69 -40.91 76.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.28 -45.18 92.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 56.0 mt -55.41 -44.11 75.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.583 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.2 mt-10 -58.05 -38.45 76.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.242 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -72.82 -27.28 61.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 53.8 mt -98.53 0.64 45.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.26 -57.19 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.2 p -77.08 -23.24 51.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -79.57 -29.55 41.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 13.8 tpt180 -83.81 -65.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 105' ' ' ALA . 75.4 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -47.93 -42.29 26.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.39 -49.71 14.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -55.31 -52.74 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.8 76.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.583 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 31.1 t80 -66.62 -40.27 88.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.64 -22.86 58.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -76.3 -43.57 40.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.443 HG21 ' N ' ' A' ' 107' ' ' CYS . 12.5 tt -69.8 -29.36 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.443 ' N ' HG21 ' A' ' 106' ' ' ILE . 57.9 m -72.38 -31.61 65.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 108.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -65.3 -11.12 38.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -92.66 -32.27 14.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 113' ' ' LYS . 7.0 mt -91.27 -64.35 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.63 115.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.26 -42.34 1.93 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER -66.6 168.92 8.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -148.84 157.18 40.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.577 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.44 -28.2 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 tp -56.57 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 6.9 tt0 -47.27 -29.13 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.73 -39.39 76.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.446 ' HB2' ' CG2' ' A' ' 110' ' ' ILE . 15.0 m -77.43 -47.3 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -50.66 -51.04 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -46.12 64.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -52.15 -56.0 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 40.6 m-85 -63.6 -31.99 73.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.4 82.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.6 pt -88.82 11.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.616 ' CD2' ' CE ' ' A' ' 44' ' ' LYS . 16.8 t-80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.601 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -114.38 -14.0 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.99 152.18 47.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.409 ' HE2' ' CB ' ' A' ' 24' ' ' PHE . 34.4 ttm -137.47 118.58 14.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.7 m-20 -73.62 143.32 46.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.614 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.45 -35.6 10.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -63.73 -35.89 82.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ASN . 10.7 m-20 -83.22 -37.79 23.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 66' ' ' PHE . 4.7 t-105 -60.06 -57.09 14.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 107.96 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.83 -52.34 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.616 ' CE ' ' CD2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -53.37 -37.04 62.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 10.3 tp -69.49 -25.63 64.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 31.8 m -93.36 33.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.33 -65.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -43.28 84.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.8 m -65.98 -9.78 33.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 108.293 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt 69.65 34.78 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.411 HG11 ' CG1' ' A' ' 106' ' ' ILE . 2.0 t -80.66 -36.32 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -94.33 -177.9 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.8 -43.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.33 -26.71 7.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.17 -79.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.92 87.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.5 t -123.53 119.52 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ASP . 57.7 p -99.93 139.34 35.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' O ' ' CG1' ' A' ' 62' ' ' VAL . . . -44.67 -25.9 0.97 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -76.0 -40.5 53.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -58.8 -42.74 89.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.564 HG22 ' CZ2' ' A' ' 42' ' ' TRP . 5.2 p -61.77 -25.97 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.459 ' N ' HG12 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -77.54 -48.04 17.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.3 mt -60.45 -49.23 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.7 t -59.0 -42.16 85.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.614 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 14.0 t80 -60.6 -33.61 73.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 t -89.19 -7.03 56.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.451 ' CE ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -94.44 -24.08 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 m -90.29 -30.12 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -95.04 178.52 5.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -113.25 144.04 43.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -40.3 -30.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.421 ' N ' ' C ' ' A' ' 71' ' ' ALA . 28.0 p -72.92 -73.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.47 145.53 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -113.26 -2.08 14.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.27 162.36 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.45 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 36.0 pt -115.79 150.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -105.59 160.11 15.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 18' ' ' GLU . 19.3 t80 -46.57 -26.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -76.07 -35.86 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 78' ' ' ASN . 27.8 mt-10 -90.24 -24.68 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 86' ' ' LEU . 13.5 t80 -73.6 -28.66 61.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -28.89 61.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.89 -42.5 90.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.534 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . . . -63.39 -44.97 93.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 43.1 mt -57.31 -31.5 65.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.566 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -71.39 -38.21 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -75.0 -30.42 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 55.5 mt -94.98 -8.87 35.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -64.75 -58.91 4.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 p -76.96 -41.93 41.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -57.71 -20.32 33.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 52.2 tpt85 -100.34 -54.2 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.575 ' CE2' ' CB ' ' A' ' 105' ' ' ALA . 69.1 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -57.46 -44.94 85.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 104' ' ' ASP . 3.0 mm-40 -72.89 -52.65 13.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.66 -51.45 67.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -52.91 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 49.4 t80 -62.13 -32.76 73.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -71.88 -22.93 61.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.575 ' CB ' ' CE2' ' A' ' 94' ' ' PHE . . . -84.19 -45.99 12.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 107' ' ' CYS . 6.3 tt -65.98 -34.49 70.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.433 ' N ' HG22 ' A' ' 106' ' ' ILE . 34.0 m -68.93 -31.4 70.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.293 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -71.07 -15.43 62.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.402 HD13 ' CE1' ' A' ' 94' ' ' PHE . 64.3 mt -84.07 -34.74 24.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 113' ' ' LYS . 6.9 mt -94.12 -62.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -41.63 111.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 107.86 -41.01 2.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -73.69 169.09 18.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -149.72 156.71 38.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.01 -24.25 0.47 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.95 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.16 -26.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -73.57 -46.18 48.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.401 ' HB2' ' CG2' ' A' ' 110' ' ' ILE . 51.0 m -69.0 -42.27 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CE2' ' SD ' ' A' ' 37' ' ' MET . 6.2 t80 -54.72 -53.02 60.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' CD ' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -54.26 -45.38 72.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -50.24 -43.04 52.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.581 ' CD1' HD12 ' A' ' 45' ' ' LEU . 21.6 m-85 -82.86 -22.56 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.525 ' CB ' ' SD ' ' A' ' 37' ' ' MET . . . -75.05 -46.74 32.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.8 pt -89.41 24.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 115' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.572 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' HA3' ' CD ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -113.37 -4.27 13.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -134.49 151.11 50.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.618 ' SD ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -142.89 137.58 29.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -94.04 143.65 26.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.713 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -57.22 -17.36 23.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -72.3 -40.06 67.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' LEU . 1.4 m120 -83.15 -40.5 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.536 ' CZ2' ' HB1' ' A' ' 85' ' ' ALA . 2.4 t-105 -52.02 -44.69 64.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 107.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' CYS . . . -69.08 -60.87 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -49.81 -24.65 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.581 HD12 ' CD1' ' A' ' 24' ' ' PHE . 9.8 tp -78.4 -31.99 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -72.65 -12.7 61.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 108.271 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -46.56 4.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.84 -43.15 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 m -82.76 -12.88 57.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm 71.53 42.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.279 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.6 t -82.74 -41.27 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . . . -91.27 -166.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -173.06 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' VAL . . . 122.71 -25.12 6.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -84.43 -76.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -71.2 -38.81 72.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLY . 25.0 t -124.71 119.85 57.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' ASP . 57.6 p -106.4 140.56 39.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.6 -21.82 2.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.451 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 1.1 m -74.27 -28.97 61.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -79.78 -50.59 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.521 HG22 ' CZ2' ' A' ' 42' ' ' TRP . 4.3 p -57.36 -34.66 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -72.01 -48.3 45.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 60' ' ' THR . 36.0 mt -63.62 -49.62 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.525 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 4.7 t -52.03 -49.03 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.713 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 2.3 t80 -58.61 -33.79 70.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 11.9 t -89.71 0.06 57.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.22 -23.64 13.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' LYS . 11.0 m -85.31 -42.34 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' VAL . 16.8 pttp -56.67 -164.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.32 -153.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -20.73 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.5 t -142.68 -88.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 54.1 171.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.413 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 6.9 ptt180 -137.82 13.06 2.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -164.3 172.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.502 HG21 ' CE2' ' A' ' 66' ' ' PHE . 5.2 pt -129.13 155.11 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.2 p30 -104.07 158.54 16.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -43.06 -46.87 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -55.73 -36.95 67.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' ASN . 53.7 mt-10 -83.06 -23.51 33.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 86' ' ' LEU . 47.3 t80 -73.61 -34.25 64.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -74.91 -27.54 60.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -66.28 -47.57 73.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.536 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -61.14 -44.5 97.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 82' ' ' PHE . 39.2 mt -52.29 -42.6 63.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 16.8 mt-10 -59.19 -50.02 75.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 5.7 mm-40 -62.99 -26.67 68.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 53.3 mt -99.3 2.1 45.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.26 -56.59 4.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.1 p -77.19 -19.08 57.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 9.0 mtpt -85.79 -23.87 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 45.0 tpt85 -89.01 -66.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 68.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -50.95 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -68.1 -49.5 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -55.5 -51.7 66.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.72 95.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.595 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 52.9 t80 -67.96 -35.16 77.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.34 -36.33 53.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.564 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . . . -63.12 -39.86 95.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 107' ' ' CYS . 6.8 tt -73.14 -27.88 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.466 ' N ' HG21 ' A' ' 106' ' ' ILE . 17.6 m -71.09 -32.45 69.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -71.39 -14.04 62.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.401 HD13 ' CZ ' ' A' ' 94' ' ' PHE . 65.7 mt -82.34 -38.28 24.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.5 mt -93.22 -60.53 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -41.13 105.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.76 -46.07 1.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.6 mttm -64.88 165.48 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.41 156.55 36.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.59 -13.12 2.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' SER . 59.8 tp -51.16 -74.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 10.7 tt0 -46.98 -30.15 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -69.1 -36.83 77.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' LEU . 67.8 m -75.67 -49.02 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' ALA . 31.1 t80 -50.05 -52.61 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' NH1' ' OE1' ' A' ' 18' ' ' GLU . 2.8 mtt180 -48.93 -47.67 43.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 17.7 mttm -52.11 -53.01 47.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 45.8 m-85 -70.46 -25.42 63.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -73.57 -47.93 36.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.527 ' CG2' ' CA ' ' A' ' 34' ' ' GLY . 4.7 pt -92.13 16.58 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.623 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.527 ' CA ' ' CG2' ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' OD1' ' A' ' 78' ' ' ASN . 4.9 mt-30 -115.43 -30.79 6.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.81 157.34 23.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.437 ' HE2' ' CD1' ' A' ' 21' ' ' PHE . 45.2 ttm -143.22 133.66 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -84.92 143.3 29.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.591 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.15 -32.15 6.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -42.54 83.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -76.64 -27.96 55.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 85' ' ' ALA . 3.2 t-105 -70.2 -70.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.12 -54.7 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -54.07 -40.85 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.588 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 10.5 tp -66.08 -25.51 67.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.507 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 13.6 m -93.62 37.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -142.74 -68.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.62 -26.54 56.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 56.8 m -84.75 6.49 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 108.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.9 mptt 59.6 40.41 20.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.5 t -91.53 -40.89 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -105.63 -178.35 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.29 -42.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.14 -23.2 6.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.19 -79.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.4 98.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.74 125.55 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ASP . 44.4 p -108.23 140.6 41.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.01 -21.4 2.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -77.51 -29.37 52.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -78.94 -48.08 15.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.464 ' CG2' HD11 ' A' ' 89' ' ' LEU . 4.7 p -58.28 -37.21 61.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.53 -45.21 84.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.7 mt -63.88 -49.01 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.46 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 4.7 t -54.27 -45.36 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.591 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 32.9 t80 -60.71 -32.38 71.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 t -90.74 -4.87 56.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -21.66 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.6 m -93.82 -35.33 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.12 -175.36 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -126.55 148.79 49.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -40.31 -29.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' ALA . 0.6 OUTLIER -74.82 -74.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.68 145.14 9.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.66 -10.68 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.6 m -122.31 168.83 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.3 pt -125.22 146.91 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' GLU . 36.3 m-20 -97.4 160.36 14.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.519 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 21.7 t80 -44.36 -32.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.87 -41.35 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' ASN . 36.6 mt-10 -82.89 -14.02 55.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 39.9 t80 -82.42 -34.04 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -72.3 -29.59 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -60.58 -57.11 14.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . . . -52.15 -44.6 64.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.575 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 80.6 mt -57.27 -29.84 64.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.436 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -74.59 -36.84 63.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 61.0 mm-40 -76.12 -29.79 57.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 65.4 mt -94.93 -17.94 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 86' ' ' LEU . . . -52.42 -61.52 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 p -69.73 -48.13 60.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.433 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 88' ' ' GLU . 14.7 mtpt -55.35 -24.8 31.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 47.7 tpt85 -89.02 -52.76 4.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.575 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 82.9 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -55.63 -42.52 75.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.29 -52.49 10.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.58 -51.72 66.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.87 63.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.459 ' CE2' ' SG ' ' A' ' 107' ' ' CYS . 64.3 t80 -60.76 -36.51 79.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -28.39 68.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -78.86 -55.36 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.442 ' CG1' HG13 ' A' ' 51' ' ' VAL . 6.8 tt -57.2 -36.14 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.459 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 1.3 m -58.1 -33.8 69.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.48 -39.05 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.501 HD23 ' CE2' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -48.29 -37.16 15.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 113' ' ' LYS . 3.5 mt -98.28 -65.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -39.72 123.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.2 -37.77 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.5 mttm -78.62 157.6 28.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.402 ' HG2' ' CD ' ' A' ' 23' ' ' LYS . 19.3 mt-10 -129.83 155.07 81.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.53 -13.36 2.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.407 ' N ' ' HB3' ' A' ' 111' ' ' ALA . 20.8 tp -51.91 -64.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 11.2 tt0 -54.46 -32.99 58.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -63.71 -50.5 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.6 t -60.86 -46.35 90.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' ALA . 19.5 t80 -51.09 -53.92 29.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.457 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -50.48 -47.49 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -49.87 -53.87 23.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 45' ' ' LEU . 47.5 m-85 -72.33 -25.68 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -71.16 -47.54 57.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 pt -87.43 12.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.408 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 38.2 t-80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.606 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -113.59 -14.28 12.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -133.54 150.21 51.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ILE . 21.8 ttm -138.25 117.27 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.4 m-20 -74.28 143.33 45.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.583 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.84 -35.92 13.06 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -32.94 74.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' ASN . 48.0 m-20 -85.49 -35.74 20.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.532 ' CD1' ' HB2' ' A' ' 66' ' ' PHE . 5.6 t-105 -65.61 -60.45 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.74 -48.78 66.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.22 -48.99 79.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.575 HD12 ' CD2' ' A' ' 24' ' ' PHE . 10.9 tp -57.17 -30.61 64.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' ALA . 81.2 m -84.21 5.13 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.341 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.95 -54.6 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -32.44 70.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 92.0 m -91.01 15.75 10.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.87 51.12 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 49' ' ' CYS . 1.5 t -95.12 -28.58 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -110.56 80.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -53.72 -35.27 60.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.44 ' O ' ' CG2' ' A' ' 58' ' ' THR . . . 112.02 -33.62 5.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -74.49 -75.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.65 -41.23 96.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.421 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 3.1 t -119.49 122.37 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' ASP . 69.7 p -112.35 142.28 45.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.402 ' O ' HG11 ' A' ' 62' ' ' VAL . . . -44.21 -23.98 0.52 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 58' ' ' THR . 1.1 m -72.63 -35.47 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -74.66 -50.1 18.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 89' ' ' LEU . 4.6 p -60.54 -37.03 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.68 -42.14 98.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' LYS . 28.7 mt -71.78 -47.36 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.478 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 5.4 t -54.18 -47.46 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.6 t80 -59.51 -33.06 70.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 18.3 t -91.53 -5.55 53.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -95.1 -22.67 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.6 m -87.46 -34.28 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 1.1 pttp -91.09 -160.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.49 179.3 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.91 -11.71 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.1 -74.93 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.9 151.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -2.09 8.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.6 160.94 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' MET . 1.9 pt -120.52 154.73 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -107.15 159.94 15.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.7 t80 -41.75 -28.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -73.12 -48.68 33.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 78' ' ' ASN . 49.4 mt-10 -77.28 -16.67 58.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 11.8 t80 -82.36 -32.81 29.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -72.07 -29.61 64.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -62.52 -55.24 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -50.32 -48.03 55.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.574 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 97.5 mt -53.81 -39.8 65.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.579 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.6 mt-10 -63.32 -36.27 83.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 56.1 mm-40 -76.88 -26.36 54.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 61.1 mt -98.68 -0.61 42.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -77.56 -57.74 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.1 p -76.81 -21.77 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.374 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 88' ' ' GLU . 23.6 mtpt -82.01 -21.66 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 19.9 tpt85 -97.19 -66.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.542 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 72.9 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 10.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -60.17 -42.07 94.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.9 mt-10 -73.94 -53.39 10.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 105' ' ' ALA . 1.2 mt-10 -58.5 -52.07 67.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -54.89 -41.58 71.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.579 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 80.1 t80 -75.19 -29.6 60.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.2 OUTLIER -79.55 -22.19 44.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.542 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -81.13 -33.3 33.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 107' ' ' CYS . 6.8 tt -78.48 -32.12 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.456 ' N ' HG23 ' A' ' 106' ' ' ILE . 84.9 m -68.81 -36.1 77.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 108.294 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -67.17 -15.34 63.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.4 mt -83.05 -39.04 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 111' ' ' ALA . 6.6 mt -87.02 -66.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.04 125.55 1.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.11 -40.04 2.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -75.17 164.72 26.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.89 156.71 35.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.554 1.818 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 165.02 -28.63 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 20' ' ' SER . 45.4 tp -57.21 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 7.2 tt0 -48.19 -24.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -73.92 -34.19 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.92 -44.21 15.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' ALA . 33.1 t80 -50.04 -52.62 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.447 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.7 OUTLIER -52.0 -47.45 64.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -50.26 -48.67 54.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.589 ' CD1' HD13 ' A' ' 45' ' ' LEU . 39.9 m-85 -76.54 -26.83 55.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -71.13 -47.98 54.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pt -93.45 16.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 27' ' ' HIS . 1.8 t-80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.628 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -110.46 -4.59 15.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.15 152.68 38.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ILE . 13.0 ttm -145.47 120.35 9.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 41' ' ' ASN . 2.0 m-20 -73.64 143.35 46.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.576 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -46.44 -39.63 10.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -63.25 -37.19 86.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASN . 38.7 m-20 -82.05 -6.74 59.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.487 ' CZ2' ' HB2' ' A' ' 85' ' ' ALA . 3.3 t-105 -96.47 -62.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 108.01 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.02 -44.2 67.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -61.33 -46.89 88.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.3 tp -55.28 -28.56 54.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 66.3 m -77.24 -54.04 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -36.54 74.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -30.93 64.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 66.4 m -99.79 15.51 26.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' CYS . 6.4 mmtm 43.71 47.17 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.9 t -90.69 -35.63 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.473 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . . . -102.01 66.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -40.67 -37.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 57' ' ' VAL . . . 115.08 -35.06 4.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -75.12 -76.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -67.05 -34.21 77.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 52' ' ' ALA . 25.5 t -123.19 117.64 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' ASP . 61.0 p -107.37 141.33 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -43.91 -24.99 0.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 58' ' ' THR . 2.8 m -76.03 -38.82 56.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.743 . . . . 0.0 110.426 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.1 m-20 -67.8 -46.65 71.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.5 p -64.31 -44.82 97.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -52.98 60.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.9 mt -58.71 -47.17 89.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.528 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 5.0 t -53.64 -47.02 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 13.4 t80 -59.62 -33.51 71.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.94 -3.96 56.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -19.6 19.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -95.96 -21.13 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 71' ' ' ALA . 0.3 OUTLIER -104.32 -173.92 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' O ' ' CE ' ' A' ' 70' ' ' LYS . . . -108.18 -166.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -16.44 28.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.08 -60.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.29 149.16 5.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.75 7.96 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.39 155.47 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' MET . 1.4 pt -116.61 153.66 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 81' ' ' GLU . 8.6 m-20 -103.92 158.29 16.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 19.7 t80 -39.98 -37.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.67 -48.6 74.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' ASN . 95.7 mt-10 -74.81 -14.01 60.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 86' ' ' LEU . 39.4 t80 -82.11 -37.57 26.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -68.48 -30.29 69.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -60.34 -58.05 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -49.5 -47.36 48.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 82' ' ' PHE . 82.9 mt -53.24 -40.07 64.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.577 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.9 mt-10 -64.62 -37.18 86.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -76.71 -27.44 55.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 48.1 mt -98.16 -0.2 44.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.75 -57.3 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.8 p -74.33 -21.66 59.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 8.6 mtpt -84.22 -22.95 30.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 21.0 tpt85 -89.1 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 90.0 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -59.22 -48.25 82.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 104' ' ' ASP . 21.8 mt-10 -77.37 -44.79 28.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.12 -52.84 63.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -59.99 -28.66 67.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.577 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 82.1 t80 -82.85 -35.99 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.2 OUTLIER -77.33 -27.39 52.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.582 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . . . -75.47 -35.34 60.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 107' ' ' CYS . 5.8 tt -73.05 -28.02 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.454 ' N ' HG22 ' A' ' 106' ' ' ILE . 35.2 m -73.69 -28.0 61.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 108.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.04 -8.23 53.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -93.8 -16.73 23.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLY . 4.7 mt -113.76 -59.77 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -44.83 96.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 124.25 -42.31 1.58 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -69.66 157.57 37.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -134.98 155.0 79.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.543 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.45 -20.75 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 60.4 tp -59.27 -77.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 4.5 tt0 -47.39 -27.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -71.17 -36.03 71.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.1 p -80.7 -46.78 15.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 25' ' ' ALA . 32.3 t80 -49.61 -52.81 27.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -44.39 37.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -57.46 -44.98 85.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CD2' HD11 ' A' ' 45' ' ' LEU . 37.3 m-85 -77.04 -22.85 52.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -78.92 -47.17 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 pt -90.66 22.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 115' ' ' PRO . 2.9 t-160 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -115.98 -3.58 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' CG ' HG21 ' A' ' 76' ' ' VAL . 40.9 mp0 -140.3 144.94 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.424 ' HE2' ' CD1' ' A' ' 21' ' ' PHE . 32.1 ttm -136.62 116.12 12.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.91 143.9 45.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.584 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -50.47 -36.59 31.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -27.75 68.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -91.69 -38.87 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 85' ' ' ALA . 4.7 t-105 -62.78 -69.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.36 -55.02 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -56.28 -40.99 75.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 24' ' ' PHE . 10.4 tp -63.12 -26.95 69.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.472 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 70.8 m -79.75 -11.33 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.19 -49.64 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -33.35 64.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.452 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 53.6 m -94.15 16.25 15.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 108.257 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mptt 45.72 40.69 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.1 t -79.47 -38.84 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -96.81 -174.85 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -170.84 -42.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.6 -21.47 6.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -83.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -62.04 -40.21 94.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.89 121.42 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' ASP . 70.6 p -103.4 140.08 37.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.24 -21.37 2.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 m -78.53 -29.28 46.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -73.84 -46.06 47.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.425 HG23 ' CZ2' ' A' ' 42' ' ' TRP . 4.4 p -61.05 -36.59 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.42 ' N ' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -66.95 -39.15 87.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.42 HG21 ' CD ' ' A' ' 68' ' ' LYS . 44.3 mt -71.75 -50.49 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.483 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.6 t -54.0 -49.1 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 33.2 t80 -54.86 -27.8 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.45 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 1.4 t -89.61 -23.81 21.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.42 ' CD ' HG21 ' A' ' 64' ' ' ILE . 12.0 mtpt -75.93 -39.45 56.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 70' ' ' LYS . 14.7 m -71.1 -49.84 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.4 pttp -74.18 176.52 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -106.75 169.71 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -10.71 53.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.4 t -98.85 -65.18 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.05 148.46 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -29.43 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.439 HG21 ' CG ' ' A' ' 36' ' ' GLU . 21.2 m -106.3 178.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.8 pt -130.78 141.32 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -91.98 158.34 16.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 13.2 t80 -38.97 -62.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -49.64 -34.16 17.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' ASN . 50.1 mt-10 -82.66 -21.9 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.559 ' CE1' HD22 ' A' ' 45' ' ' LEU . 6.6 t80 -81.07 -25.7 36.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.515 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 4.3 mtmt -74.22 -33.14 63.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -56.57 -48.29 77.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.569 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . . . -56.1 -47.99 77.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . 88.7 mt -55.29 -36.31 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' OE2' ' CE ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.23 -31.15 69.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -84.44 -29.01 26.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 50.5 mt -99.11 1.46 45.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 86' ' ' LEU . . . -74.73 -55.93 5.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.5 p -77.04 -20.16 56.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 8.8 mtpt -86.21 -15.97 39.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 35.3 tpt85 -97.65 -66.72 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 105' ' ' ALA . 67.2 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.452 ' CE ' ' OE2' ' A' ' 87' ' ' GLU . 5.6 tttm -78.89 -49.1 13.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.41 -45.27 26.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.66 -51.25 67.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.08 -55.85 29.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -54.8 -43.59 73.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -21.8 63.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.574 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . . . -84.94 -30.53 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.458 HD11 ' CG1' ' A' ' 51' ' ' VAL . 1.8 tt -79.51 -27.38 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 24.7 m -72.49 -23.42 61.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.37 -15.19 53.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.493 HD13 ' CE2' ' A' ' 94' ' ' PHE . 65.9 mt -83.99 -29.21 27.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 112' ' ' GLY . 4.9 mt -100.38 -61.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -43.59 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 122.51 -44.74 1.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -65.29 172.39 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -146.62 157.35 48.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.83 -9.86 3.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' N ' ' HB2' ' A' ' 111' ' ' ALA . 28.9 tp -46.84 -68.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.512 ' CG ' ' CE1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -54.44 -31.44 55.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -54.31 48.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 p -61.39 -46.69 89.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -49.86 -53.18 27.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -44.92 62.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -55.17 -51.24 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 115' ' ' PRO . 28.4 m-85 -69.14 -31.74 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.58 84.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 10.6 pt -89.44 12.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 20.2 t-80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.55 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -113.23 -4.96 13.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.91 150.48 51.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.4 ttm -133.25 115.71 15.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.5 m-20 -74.2 143.6 45.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.648 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.86 -22.41 2.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -76.32 -34.76 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ASN . 98.2 m-20 -87.11 -25.67 24.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 85' ' ' ALA . 5.2 t-105 -71.64 -63.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.023 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.04 -43.98 67.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.04 87.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 24' ' ' PHE . 16.1 tp -63.23 -28.77 70.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.561 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 24.2 m -92.62 30.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 108.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -142.32 -54.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -33.62 76.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.0 m -79.67 -1.37 37.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.92 40.49 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.7 t -90.49 -40.19 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -103.32 97.89 7.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.25 -32.99 65.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.79 -24.37 12.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.76 -80.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.67 -36.61 72.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 t -127.65 119.0 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 p -106.1 141.34 37.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' O ' HG11 ' A' ' 62' ' ' VAL . . . -47.77 -21.89 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 1.0 OUTLIER -75.13 -28.91 60.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.38 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -79.2 -50.06 11.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.446 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -58.38 -33.56 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.407 ' N ' HG11 ' A' ' 62' ' ' VAL . 31.8 t0 -68.15 -48.96 63.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.413 ' CD1' ' O ' ' A' ' 60' ' ' THR . 16.8 mt -63.2 -46.57 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.9 t -56.34 -49.88 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.648 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 5.3 t80 -57.27 -29.13 63.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.423 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -87.93 -23.76 23.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -29.43 32.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -82.31 -33.75 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -87.96 167.97 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 72' ' ' LYS . . . -103.17 141.11 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 71' ' ' ALA . 21.9 tttm -39.84 -37.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -70.93 -58.49 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.72 145.76 55.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -23.3 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 m -108.34 174.23 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 2.8 pt -125.02 150.9 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.491 ' OD1' ' CG ' ' A' ' 81' ' ' GLU . 8.4 p30 -105.13 159.34 15.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' CE1' ' CG ' ' A' ' 18' ' ' GLU . 16.7 t80 -38.35 -54.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -48.79 -41.94 34.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.491 ' CG ' ' OD1' ' A' ' 78' ' ' ASN . 67.6 mt-10 -74.63 -37.28 62.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.582 ' CE2' HD12 ' A' ' 86' ' ' LEU . 68.9 t80 -57.37 -33.09 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 3.1 mtmt -77.7 -26.37 50.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -42.24 77.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.576 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . . . -71.8 -41.16 68.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.582 HD12 ' CE2' ' A' ' 82' ' ' PHE . 16.0 mt -57.64 -43.19 84.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.545 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.7 mt-10 -60.65 -46.02 91.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -64.62 -28.59 69.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 62.6 mt -99.52 2.52 44.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.46 -57.48 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.8 p -77.9 -30.31 50.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -70.57 -29.55 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 41.3 tpt85 -87.71 -62.34 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.583 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 52.5 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.0 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -58.99 -43.38 91.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.19 -53.01 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.27 -52.66 63.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -53.98 -49.17 69.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.545 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 56.9 t80 -65.32 -38.53 90.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -21.31 63.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.583 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . . . -85.44 -34.49 21.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 107' ' ' CYS . 3.2 tt -80.38 -32.5 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.467 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 89.4 m -69.82 -31.91 70.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -73.98 -19.05 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 94' ' ' PHE . 65.3 mt -75.58 -44.49 42.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ALA . 5.3 mt -83.11 -68.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.422 ' HB2' ' N ' ' A' ' 17' ' ' LEU . . . -39.94 117.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.12 -37.81 3.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -75.01 175.2 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -141.25 154.6 67.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.02 -26.26 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.01 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 21.3 tt0 -47.2 -24.58 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -69.61 -48.15 61.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -38.13 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' ALA . 32.1 t80 -51.5 -57.14 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -45.81 54.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -49.62 -50.59 42.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 40.9 m-85 -77.69 -24.48 49.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -73.12 -38.52 66.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 pt -83.88 8.64 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.662 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -129.74 6.1 5.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -137.17 141.79 42.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.428 ' HE2' ' CB ' ' A' ' 24' ' ' PHE . 35.7 ttm -137.26 116.25 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -73.86 144.41 45.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -47.66 -37.66 14.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -30.68 71.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ASN . 83.2 m-20 -89.8 -36.93 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.54 ' CH2' ' HB2' ' A' ' 85' ' ' ALA . 4.7 t-105 -62.47 -48.87 77.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' SG ' ' A' ' 46' ' ' CYS . . . -66.68 -54.83 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -28.67 16.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 12.6 tp -78.33 -27.32 47.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -80.57 -10.83 59.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 108.279 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -104.86 -44.45 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -36.98 82.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' CB ' ' A' ' 113' ' ' LYS . 50.5 m -87.29 -12.23 47.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 0.6 OUTLIER 72.08 41.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.6 t -84.2 -41.6 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.451 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . . . -94.21 66.6 3.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 3.5 p-10 -40.61 -31.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 52' ' ' ALA . . . 106.17 -20.98 34.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -84.11 -83.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -66.15 -26.71 67.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.451 ' CG1' ' HA ' ' A' ' 52' ' ' ALA . 7.1 t -128.01 119.67 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 61' ' ' ASP . 25.2 p -108.25 142.0 39.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.408 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -48.12 -21.53 1.82 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 0.9 OUTLIER -74.88 -27.27 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -79.58 -49.83 11.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.482 HG23 ' CZ2' ' A' ' 42' ' ' TRP . 3.8 p -56.82 -36.39 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -39.51 82.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 68' ' ' LYS . 41.6 mt -70.87 -50.87 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.4 t -56.11 -48.35 79.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 32.5 t80 -54.4 -27.24 35.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.469 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -86.98 -22.97 25.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -80.13 -39.72 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.6 m -68.6 -28.09 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 26.5 pttt -102.84 179.43 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -107.32 -175.51 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -81.9 -4.61 56.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.58 -76.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.08 148.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.41 -7.98 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.63 170.66 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.9 pt -124.21 152.66 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -102.85 158.18 16.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 14.1 t80 -38.44 -38.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.41 -48.89 71.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' ASN . 96.0 mt-10 -72.71 -17.04 61.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 32.6 t80 -80.76 -37.7 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -73.35 -26.91 61.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -62.47 -48.38 79.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.54 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . . . -60.09 -44.35 94.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 90' ' ' ALA . 60.9 mt -55.39 -34.2 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.575 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.2 mt-10 -69.63 -41.94 74.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -73.48 -27.68 61.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 57.8 mt -97.62 -4.59 37.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -72.67 -55.91 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.3 p -73.73 -20.96 60.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 18.6 mtpt -86.32 -25.05 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 10.1 tpt180 -83.18 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 69.0 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -50.7 -43.14 57.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.25 -50.78 15.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.34 -52.0 64.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.95 -46.18 82.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 82.9 t80 -63.05 -40.87 98.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -23.66 62.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . . . -78.37 -40.42 36.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.47 HD12 ' CG1' ' A' ' 51' ' ' VAL . 8.9 tt -74.85 -28.39 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.465 ' N ' HG21 ' A' ' 106' ' ' ILE . 3.3 m -69.57 -29.21 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.81 -11.8 59.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.455 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 72.7 mt -85.32 -19.24 31.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.6 mt -112.24 -49.06 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -47.57 96.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 122.07 -36.52 3.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.48 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -58.48 168.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.59 144.67 10.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.39 -15.0 2.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.9 tp -49.61 -74.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.08 -36.31 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -59.98 -45.8 91.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.412 ' HB2' ' CG2' ' A' ' 110' ' ' ILE . 16.0 m -65.6 -50.26 65.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' ALA . 24.2 t80 -50.15 -52.62 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -44.89 46.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -56.34 -55.18 36.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 40.1 m-85 -66.36 -27.27 67.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -74.06 -47.53 36.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.4 pt -89.7 9.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -100.57 -9.66 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -138.6 147.55 43.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 24' ' ' PHE . 6.9 ttm -135.66 124.02 23.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 2.8 p30 -79.33 143.47 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.615 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -52.66 -19.51 6.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -73.64 -36.58 65.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 26.6 m-20 -87.54 -38.28 16.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.56 ' CZ2' HG21 ' A' ' 62' ' ' VAL . 5.6 t-105 -56.67 -61.05 2.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.59 -51.82 52.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -55.8 -40.27 72.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.581 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 12.3 tp -65.75 -27.65 68.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 52' ' ' ALA . 56.2 m -88.43 11.25 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CE ' ' CB ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -125.0 -44.04 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -29.49 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 66.7 m -90.98 16.08 10.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.19 43.65 22.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -88.09 -40.35 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -107.17 91.27 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.43 -36.58 84.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 57' ' ' VAL . . . 117.75 -34.58 4.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -80.77 -79.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 0.722 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.17 -40.28 67.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 58' ' ' THR . 7.2 t -127.24 141.79 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 61' ' ' ASP . 22.4 p -120.21 143.52 48.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.409 ' O ' HG11 ' A' ' 62' ' ' VAL . . . -44.41 -23.83 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 58' ' ' THR . 19.5 m -73.49 -24.72 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -74.4 -39.51 62.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG21 ' CZ2' ' A' ' 42' ' ' TRP . 4.9 p -73.19 -32.39 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' N ' HG12 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -68.64 -47.77 65.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.2 mt -61.73 -52.3 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.487 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 6.6 t -55.61 -46.0 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.615 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 35.7 t80 -60.41 -28.7 68.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.444 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -95.85 -2.25 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -29.0 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 m -83.05 -45.4 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.0 pttt -72.1 -167.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -128.08 155.4 44.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -21.41 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 t -88.12 -61.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 147.53 39.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -114.59 -26.74 7.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 m -104.39 162.59 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.417 HG22 ' CE2' ' A' ' 66' ' ' PHE . 15.6 pt -115.76 156.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -112.02 156.68 21.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -37.9 -47.27 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -55.04 -48.91 72.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' ASN . 44.7 mm-40 -73.33 -43.55 60.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 20.1 t80 -54.02 -49.17 69.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -64.23 -26.97 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -45.84 79.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -60.48 -46.95 88.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.552 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 79.2 mt -54.2 -39.15 66.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.596 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 9.1 mm-40 -63.64 -36.8 85.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -74.04 -29.72 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.501 ' CD2' ' OD2' ' A' ' 61' ' ' ASP . 15.8 mt -94.9 -5.98 43.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -61.99 -54.55 40.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.6 p -76.24 -46.17 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -56.19 -20.53 18.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 31.3 tpt85 -98.82 -53.33 3.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.582 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 79.0 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 10.5 tttt -57.42 -41.62 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.64 -52.25 10.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.17 -51.71 65.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.39 -57.01 14.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.596 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 71.4 t80 -55.31 -40.76 71.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.73 -27.83 69.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -80.31 -57.22 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.424 HG21 ' N ' ' A' ' 107' ' ' CYS . 6.0 tt -55.16 -37.8 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.424 ' N ' HG21 ' A' ' 106' ' ' ILE . 37.0 m -65.38 -39.92 92.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -62.75 -25.58 68.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 64.4 mt -72.16 -34.45 68.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 113' ' ' LYS . 9.0 mt -88.87 -65.72 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.73 117.34 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.59 -42.22 1.96 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.4 mttm -71.28 150.13 45.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -125.12 158.52 63.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.576 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.36 -23.94 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.32 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 15.6 tt0 -47.34 -30.31 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 110.296 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -68.35 -46.56 69.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -68.98 -43.7 74.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' ALA . 24.3 t80 -50.06 -54.33 21.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -52.71 -44.3 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 28.0 mttt -52.09 -56.2 15.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.598 ' CD1' HD13 ' A' ' 45' ' ' LEU . 41.4 m-85 -70.47 -27.23 64.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -68.34 -47.45 67.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 pt -89.64 16.35 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.617 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.407 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -102.91 -10.43 19.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.26 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -136.73 148.54 47.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.436 ' HE3' ' CD2' ' A' ' 45' ' ' LEU . 23.9 ttm -136.69 121.33 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.51 143.93 46.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.583 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -48.99 -35.62 18.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -62.9 -34.41 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.356 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.49 -35.99 22.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.413 ' NE1' ' CG2' ' A' ' 62' ' ' VAL . 7.5 t-105 -62.64 -60.22 3.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 108.025 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.74 70.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -55.19 -52.87 61.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.598 HD13 ' CD1' ' A' ' 24' ' ' PHE . 7.1 tp -47.75 -42.4 25.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.5 m -62.5 -60.35 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 108.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 50' ' ' LYS . 39.1 tttt -46.06 -59.8 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -33.46 60.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.454 ' CB ' HG22 ' A' ' 51' ' ' VAL . 41.0 m -90.19 16.01 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.283 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 mptp? 41.07 41.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 49' ' ' CYS . 3.5 t -88.89 -39.37 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.82 87.94 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' OD2' ' NE ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -73.88 -27.54 61.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.475 ' O ' ' CG2' ' A' ' 58' ' ' THR . . . 111.64 -36.01 4.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.533 1.145 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -76.64 -78.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.36 78.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' GLY . 11.3 t -131.38 119.37 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 54' ' ' GLY . 52.3 p -103.27 140.95 36.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -47.91 -22.16 1.92 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -77.62 -32.61 53.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.794 . . . . 0.0 110.389 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -73.27 -46.98 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.413 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -60.76 -37.26 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -64.78 -48.19 75.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.8 mt -61.51 -50.85 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.506 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 4.2 t -54.85 -49.22 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 13.6 t80 -55.87 -30.9 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.468 ' HA ' ' CE ' ' A' ' 70' ' ' LYS . 3.0 t -89.18 -10.22 47.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.89 -21.78 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.5 m -88.34 -33.44 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 67' ' ' SER . 9.7 pttt -82.05 -176.65 6.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.64 -154.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -76.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.97 -72.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 47.43 -137.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 168.24 -29.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.69 164.35 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.415 HG22 ' CE2' ' A' ' 66' ' ' PHE . 2.2 pt -127.4 155.85 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.4 159.24 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.4 t80 -44.42 -48.26 9.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -54.44 -48.74 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.14 -37.92 72.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CZ ' HD12 ' A' ' 86' ' ' LEU . 16.8 t80 -56.45 -51.08 69.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -64.56 -26.37 68.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -41.43 97.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.506 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -67.75 -42.8 81.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.508 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 32.7 mt -55.1 -45.25 75.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.573 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 2.4 mm-40 -57.49 -41.34 80.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 58.4 mm-40 -70.61 -32.54 69.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 62.8 mt -91.38 -0.09 57.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -77.06 -52.39 9.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 p -76.97 -23.74 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 88' ' ' GLU . 8.7 mtpp -82.25 -28.91 31.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 5.8 tpt180 -83.43 -65.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.578 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.0 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.429 ' OG ' ' HB2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -48.54 -46.9 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.54 -50.31 46.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.429 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 8.2 mm-40 -55.79 -51.57 66.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -52.31 66.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.573 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 67.9 t80 -55.66 -42.59 75.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -22.63 62.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.578 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -81.48 -40.45 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 107' ' ' CYS . 8.3 tt -76.31 -30.53 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.455 ' N ' HG23 ' A' ' 106' ' ' ILE . 3.1 m -69.48 -34.23 74.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.13 . . . . 0.0 108.337 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.77 -19.77 65.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 106' ' ' ILE . 13.1 mt -77.92 -40.13 40.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' ALA . 4.9 mt -88.89 -66.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.32 109.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.99 -40.87 2.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.6 OUTLIER -69.89 169.72 12.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 1.4 pm0 -151.56 149.65 24.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 23' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 166.78 -29.8 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' SER . 15.4 tp -52.48 -73.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.793 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 29.7 tt0 -47.6 -25.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -76.52 -36.94 57.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -77.17 -43.38 34.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -49.92 -53.59 25.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -45.72 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 25.1 mttt -54.23 -55.94 23.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 115' ' ' PRO . 44.1 m-85 -66.4 -24.56 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.86 -47.38 25.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' HIS . 4.0 pt -90.42 9.85 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ILE . 6.7 t-80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.573 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -107.77 -4.54 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.42 146.52 38.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.5 ttm -137.56 116.27 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -73.22 143.57 47.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.649 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.37 -28.78 6.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -42.12 67.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -79.9 -17.19 53.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CZ2' ' HB1' ' A' ' 85' ' ' ALA . 2.6 t-105 -80.62 -53.88 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.059 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.71 68.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -54.35 -37.83 65.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 24' ' ' PHE . 10.5 tp -68.46 -26.59 65.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.512 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 57.2 m -94.61 24.08 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -132.38 -62.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.01 -40.05 75.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.534 ' SG ' ' CZ ' ' A' ' 24' ' ' PHE . 64.9 m -70.62 -6.81 39.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.358 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 69.94 43.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.1 t -91.68 -41.12 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -96.88 178.09 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -159.37 -44.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.21 -21.96 7.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -84.97 -77.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.97 72.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.1 t -121.45 118.36 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' ASP . 45.4 p -103.63 141.86 35.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.56 -22.04 1.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -79.2 -32.14 43.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.9 m-20 -72.54 -45.59 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 9.6 p -62.5 -43.88 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -44.2 74.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.6 mt -67.31 -45.69 85.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.504 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 4.8 t -56.28 -43.31 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.649 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 10.2 t80 -62.7 -33.78 75.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 t -90.01 -4.6 57.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.43 ' CE ' ' HA ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -94.17 -20.98 19.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -96.71 -24.65 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.88 -179.54 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -120.43 147.65 44.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -40.89 -29.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 71' ' ' ALA . 2.9 t -72.27 -69.25 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.0 148.81 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.14 -8.03 11.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.1 m -129.45 173.44 13.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.407 HG12 ' CE2' ' A' ' 66' ' ' PHE . 1.7 pt -127.52 155.28 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.07 160.16 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 21.3 t80 -48.21 -22.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.29 -48.15 24.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -81.75 -24.36 36.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.463 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 7.4 t80 -72.49 -26.8 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -77.42 -28.2 52.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -67.91 -47.08 69.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.559 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -54.7 -48.35 72.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ALA . 96.7 mt -54.71 -43.77 72.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.598 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 3.6 mt-10 -57.55 -35.05 69.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 63.6 mm-40 -74.5 -32.65 62.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 47.2 mt -92.02 -2.34 56.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.8 -57.18 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 p -77.68 -19.37 55.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 88' ' ' GLU . 30.6 mtpt -83.79 -26.96 29.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 31.4 tpt85 -93.03 -64.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 105' ' ' ALA . 87.1 m-85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 27.6 tttt -64.06 -45.82 87.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.69 -45.35 29.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.58 -51.53 66.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.88 63.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 31.0 t80 -56.68 -38.76 72.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 108' ' ' GLN . 0.1 OUTLIER -65.08 -21.92 66.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -86.34 -52.3 5.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.524 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . 5.1 tt -57.74 -40.8 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 111' ' ' ALA . 3.8 m -57.75 -44.69 86.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 108.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 3.0 mm-40 -49.83 -49.97 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.524 ' CD2' ' HA ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -47.14 -45.07 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 111' ' ' ALA . 3.0 mt -85.69 -73.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 107' ' ' CYS . . . -37.12 121.0 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 100.59 -37.15 3.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -78.25 -173.86 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.798 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -156.26 158.12 31.41 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.88 -15.53 1.96 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.127 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 20' ' ' SER . 60.3 tp -51.99 -70.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -49.74 -26.19 3.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -75.27 -29.92 60.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 52.9 m -83.19 -47.52 11.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ALA . 6.7 t80 -51.89 -51.17 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -48.78 -48.36 41.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 45.4 mttt -49.42 -42.83 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 45.8 m-85 -82.25 -27.22 32.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -68.69 -47.74 65.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 12.4 pt -93.7 14.63 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 10.9 t-80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.618 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -115.46 -8.62 12.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.773 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 1.9 mp0 -146.55 153.03 39.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' ILE . 27.8 ttm -138.83 119.73 14.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.5 OUTLIER -74.86 143.99 43.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.593 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.54 -37.96 13.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -65.47 -33.33 75.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' ASN . 37.6 m-20 -88.58 -9.16 53.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.492 ' CZ2' ' HB2' ' A' ' 85' ' ' ALA . 3.7 t-105 -95.66 -57.05 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.02 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.84 82.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -60.97 -41.39 96.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.588 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 9.1 tp -60.01 -30.67 69.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 59.9 m -71.59 -59.19 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -48.29 70.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.47 -38.24 77.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' SG ' HD12 ' A' ' 45' ' ' LEU . 56.3 m -90.59 12.88 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 46.69 43.27 12.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 106' ' ' ILE . 5.3 t -86.63 -41.26 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.73 78.86 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.98 -30.14 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 57' ' ' VAL . . . 115.54 -34.84 4.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -88.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.767 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.04 -36.87 66.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.507 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 10.2 t -123.91 131.13 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 61' ' ' ASP . 40.7 p -116.05 140.87 48.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.389 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -47.68 -22.78 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -75.91 -31.6 59.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.1 m-20 -71.77 -47.79 51.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 63' ' ' ASP . 3.9 p -61.57 -38.41 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.419 ' N ' HG12 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -61.07 -42.04 97.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.33 -50.36 46.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.499 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 6.0 t -52.84 -48.07 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.593 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 18.5 t80 -59.7 -31.59 69.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.438 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -95.65 3.55 53.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.04 -34.32 7.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.97 -20.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 8.3 pttt -101.87 -163.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.87 166.4 17.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -14.91 38.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.06 -76.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.42 145.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 ptt-85 -113.06 -10.53 13.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.419 ' CG2' ' HG2' ' A' ' 36' ' ' GLU . 2.5 m -123.25 168.5 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 37' ' ' MET . 1.8 pt -120.4 148.58 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' GLU . 1.8 m120 -104.72 159.95 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.8 t80 -47.08 -25.07 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -75.13 -36.63 61.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' ASN . 48.7 mt-10 -90.65 -28.87 18.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CE1' HD22 ' A' ' 45' ' ' LEU . 5.6 t80 -69.02 -26.42 64.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -77.37 -28.4 52.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -67.86 -43.63 79.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.499 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -58.3 -48.01 81.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 90' ' ' ALA . 90.2 mt -55.46 -38.02 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.609 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 8.9 mt-10 -63.69 -39.86 95.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.427 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 29.8 mm-40 -71.93 -32.11 67.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 21.3 mt -91.21 -6.11 53.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -64.29 -54.97 24.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.4 p -78.17 -36.38 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' CD ' ' O ' ' A' ' 88' ' ' GLU . 26.8 mtpt -68.2 -10.24 52.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 43.3 tpt85 -105.88 -57.99 1.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.3 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' A' ' 87' ' ' GLU . 5.1 tttm -65.29 -42.78 92.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.21 -51.26 12.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -55.29 -52.41 63.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -57.37 -55.63 32.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.609 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 67.5 t80 -54.4 -39.04 66.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -31.39 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.66 -36.14 57.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.468 HD11 ' CG1' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -80.55 -37.19 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.402 ' N ' HG23 ' A' ' 106' ' ' ILE . 21.3 m -61.53 -26.25 67.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -76.96 -25.55 52.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.4 mt -67.0 -19.17 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.1 mt -108.54 -66.4 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.15 106.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.2 -40.68 2.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.9 mttt -72.17 170.55 13.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.29 150.99 26.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.43 -16.14 1.86 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.63 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.743 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.48 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 3.2 tt0 -48.59 -29.39 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -69.15 -48.62 61.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.0 m -66.25 -36.88 84.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.422 ' CD1' ' HE3' ' A' ' 37' ' ' MET . 11.7 t80 -56.96 -53.11 61.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.442 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -49.84 -42.26 46.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -49.63 -55.14 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.579 ' CD1' HD13 ' A' ' 45' ' ' LEU . 62.4 m-85 -71.85 -29.42 64.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.78 -47.62 71.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' HIS . 4.5 pt -92.15 13.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ILE . 15.1 t-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -110.79 -1.36 16.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -144.63 152.01 39.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.422 ' HE3' ' CD1' ' A' ' 21' ' ' PHE . 30.5 ttm -143.47 129.97 20.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -81.72 143.58 31.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.583 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -47.12 -32.59 6.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -37.49 85.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.724 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ASN . 9.1 m-20 -81.96 -28.29 32.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.518 ' CZ2' ' HB1' ' A' ' 85' ' ' ALA . 5.2 t-105 -72.06 -58.82 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 107.97 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.33 -48.93 75.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -58.52 -44.13 89.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.3 tp -57.09 -31.39 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.43 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 57.8 m -74.32 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.1 72.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 -36.93 85.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' SG ' HD11 ' A' ' 45' ' ' LEU . 66.0 m -92.66 13.45 20.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.3 mmmm 45.99 46.13 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 3.6 t -89.42 -38.73 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.55 82.9 2.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -62.29 -30.88 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 57' ' ' VAL . . . 113.19 -30.12 7.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.65 -82.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -63.53 -34.53 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.408 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 17.5 t -125.73 118.37 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' ASP . 82.1 p -104.3 140.94 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.447 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -47.61 -22.61 1.84 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -75.27 -30.48 60.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -75.89 -49.65 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.422 HG23 ' CZ2' ' A' ' 42' ' ' TRP . 4.1 p -58.68 -36.15 58.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.38 -43.72 80.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.4 mt -66.76 -49.94 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.46 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 5.0 t -52.86 -50.92 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 27.5 t80 -57.52 -29.01 63.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.426 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -87.97 -14.13 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -93.04 -39.72 10.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.9 m -69.27 -36.1 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.0 pttt -84.1 -171.66 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -110.96 -178.68 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.97 10.33 19.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.64 -49.52 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.96 147.93 45.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.67 -6.6 12.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -129.11 161.2 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.461 HG22 ' CE2' ' A' ' 66' ' ' PHE . 34.2 pt -115.94 153.75 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLU . 2.0 m-20 -108.91 158.83 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 16.4 t80 -39.35 -42.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -58.05 -49.03 78.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ASN . 43.4 mt-10 -74.0 -41.4 61.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.527 ' CZ ' HD12 ' A' ' 86' ' ' LEU . 50.8 t80 -53.24 -49.38 66.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -27.29 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -39.47 92.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.518 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -71.4 -41.87 69.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.527 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 20.4 mt -56.97 -38.46 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.57 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 7.2 mt-10 -65.27 -46.06 82.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.487 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 7.6 mm-40 -65.03 -29.68 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 59.5 mt -95.98 -5.74 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -63.98 -56.13 17.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.6 p -77.01 -38.78 52.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 16.1 mtpt -64.89 -11.76 41.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 23.4 tpt85 -105.43 -53.92 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.569 ' CE2' ' HB3' ' A' ' 105' ' ' ALA . 78.6 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.449 ' HD3' ' CG ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -55.75 -42.65 75.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.449 ' CG ' ' HD3' ' A' ' 99' ' ' LYS . 6.2 mt-10 -75.0 -52.77 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.43 -51.03 68.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.25 -50.96 71.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 69.0 t80 -61.1 -39.7 90.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -21.78 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.569 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . . . -86.26 -39.23 16.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 107' ' ' CYS . 5.5 tt -74.41 -33.93 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.461 ' N ' HG23 ' A' ' 106' ' ' ILE . 99.2 m -67.16 -36.99 82.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.14 -21.93 64.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.434 HD13 ' CZ ' ' A' ' 94' ' ' PHE . 56.3 mt -73.04 -24.08 60.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 111' ' ' ALA . 5.5 mt -102.0 -64.53 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -38.63 114.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.02 -39.51 2.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.417 1.073 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -75.48 167.04 22.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -150.71 156.84 36.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.69 -27.66 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . 34.6 tp -58.01 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 3.5 tt0 -47.66 -25.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -74.77 -35.48 62.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' LEU . 49.8 m -80.11 -44.18 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -50.46 -55.79 14.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -49.88 -47.76 51.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' NZ ' ' OE1' ' A' ' 114' ' ' GLU . 34.4 mttm -49.87 -52.51 32.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD1' HD12 ' A' ' 45' ' ' LEU . 35.4 m-85 -73.12 -22.51 60.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.02 -47.64 28.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.0 pt -88.06 9.04 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.463 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -106.05 -13.32 15.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 110.292 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.12 148.93 51.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.8 ttm -139.63 118.69 12.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.417 ' ND2' HG13 ' A' ' 76' ' ' VAL . 1.8 m120 -73.79 143.8 45.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.543 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . -49.56 -37.32 26.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -38.94 88.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -79.5 -34.29 41.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.534 ' CH2' ' HB2' ' A' ' 85' ' ' ALA . 2.9 t-105 -65.83 -52.53 49.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 46' ' ' CYS . . . -61.59 -58.01 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -50.08 -25.21 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 24' ' ' PHE . 9.8 tp -78.93 -30.52 44.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -74.62 -11.41 60.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.277 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.55 -50.02 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 13.7 t0 -57.71 -34.67 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.407 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 37.1 m -94.55 11.2 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 45.62 43.09 8.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.3 t -82.52 -41.03 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.455 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . . . -92.42 81.88 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -52.32 -37.32 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.58 -30.71 7.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -81.12 -76.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -63.82 -42.9 97.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -115.63 124.1 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' ASP . 18.8 p -109.98 141.77 42.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.65 -21.41 2.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -78.89 -27.78 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.2 m-20 -77.28 -46.92 21.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.431 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 5.1 p -58.36 -36.54 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -47.95 75.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.3 mt -63.58 -48.06 88.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.7 t -56.73 -46.02 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CE1' ' HA2' ' A' ' 39' ' ' GLY . 48.9 t80 -59.8 -32.45 70.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.23 -7.2 54.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -21.57 19.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.082 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -90.64 -32.29 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 66' ' ' PHE . 4.2 pttt -95.59 -165.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.47 172.27 9.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -67.76 -10.8 55.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t -93.73 -68.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.57 155.05 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -127.95 3.67 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.417 HG13 ' ND2' ' A' ' 38' ' ' ASN . 3.7 m -140.83 164.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.5 pt -125.0 151.19 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -103.45 160.27 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 21.2 t80 -40.4 -29.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 78' ' ' ASN . 2.4 mt-10 -72.29 -48.82 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' ASN . 98.7 mt-10 -78.18 -14.77 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.253 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.58 ' CE2' HD13 ' A' ' 86' ' ' LEU . 32.8 t80 -82.69 -33.04 27.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -71.74 -29.38 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -62.14 -59.31 5.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.534 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . . . -47.8 -48.73 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.58 HD13 ' CE2' ' A' ' 82' ' ' PHE . 96.1 mt -53.61 -40.94 66.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.1 mm-40 -63.15 -36.61 84.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -76.16 -25.08 54.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 69.3 mt -98.9 -3.35 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -68.59 -57.56 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.8 p -77.39 -35.33 54.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.363 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 15.3 mtpt -67.69 -10.73 55.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 28.6 tpt85 -106.87 -58.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -68.98 -48.72 62.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.59 -47.91 29.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.57 -52.08 64.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -59.77 -54.51 45.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.602 ' CE2' ' SG ' ' A' ' 107' ' ' CYS . 73.9 t80 -54.94 -41.67 71.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -25.66 67.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.28 -35.08 28.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 107' ' ' CYS . 0.6 OUTLIER -80.14 -32.94 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.602 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 11.0 m -65.0 -23.36 67.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -78.35 -26.45 46.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.68 -34.14 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.5 mt -95.08 -58.37 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -44.75 105.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.2 -42.41 1.94 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.68 147.35 50.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.425 ' OE1' ' NZ ' ' A' ' 23' ' ' LYS . 39.0 mt-10 -129.62 153.33 80.72 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.485 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.42 -22.53 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.472 ' CD2' ' SG ' ' A' ' 107' ' ' CYS . 58.0 tp -52.03 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 19.8 tt0 -46.96 -34.17 5.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.51 -50.87 70.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 p -63.68 -48.48 77.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' ALA . 18.4 t80 -49.78 -54.16 20.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -49.09 -47.01 45.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -52.95 -54.62 32.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.59 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 42.7 m-85 -68.76 -22.9 64.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -76.74 -47.68 21.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 34' ' ' GLY . 7.0 pt -91.0 26.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 115' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' N ' ' CG2' ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -114.52 -14.49 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -133.59 145.22 49.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 30.4 ttm -135.64 118.7 16.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.98 144.13 47.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.697 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -56.55 -16.13 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -76.66 -41.64 44.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -82.59 -33.13 28.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.509 ' CZ3' ' SG ' ' A' ' 46' ' ' CYS . 3.8 t-105 -58.96 -58.36 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.8 -52.11 61.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -54.93 -35.82 64.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.59 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 12.0 tp -69.53 -27.76 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.509 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 84.4 m -92.17 11.24 26.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.449 ' HE3' ' CB ' ' A' ' 52' ' ' ALA . 8.1 mptt -118.58 -55.67 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -40.67 94.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 99.8 m -74.8 -4.24 36.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 49.5 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.1 t -94.95 -36.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -100.26 86.85 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 93' ' ' ARG . 20.9 p-10 -56.54 -38.39 71.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.28 -27.86 9.15 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -80.24 -75.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -68.26 -41.74 80.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 t -112.47 118.19 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 61' ' ' ASP . 16.0 p -109.31 142.12 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.23 -22.75 1.0 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -74.26 -31.68 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -75.24 -50.88 14.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.414 HG21 ' NE1' ' A' ' 42' ' ' TRP . 4.2 p -57.7 -36.65 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -44.62 91.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 68' ' ' LYS . 22.7 mt -68.85 -46.0 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 5.3 t -55.67 -50.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.697 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 7.2 t80 -59.48 -31.27 69.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.435 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -86.92 -15.85 37.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -88.1 -40.94 13.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 m -67.43 -39.94 83.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 4.0 pttt -80.54 -173.32 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -111.83 166.41 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -13.74 53.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.85 -69.07 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.45 149.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.03 -24.55 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.8 m -112.16 -178.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.447 HG22 ' CE2' ' A' ' 66' ' ' PHE . 2.3 pt -132.44 148.37 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.34 160.34 14.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.3 t80 -50.67 -25.34 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.53 -28.76 56.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -97.41 -25.34 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.477 ' CE1' HD23 ' A' ' 45' ' ' LEU . 2.3 t80 -73.62 -38.97 64.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 9.0 ptpt -63.09 -32.72 74.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -61.0 -56.9 15.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -41.83 -44.61 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 90' ' ' ALA . 92.6 mt -52.73 -54.63 31.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -35.64 51.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -74.54 -30.51 61.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 52.3 mt -98.97 4.42 47.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -82.16 -57.71 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.1 p -77.42 -20.42 54.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 20.8 mtpt -83.25 -19.9 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 17.6 tpt85 -102.02 -65.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.571 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 80.5 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 101' ' ' GLU . 58.0 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 7.2 tttt -53.43 -41.15 65.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.55 -48.63 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 31.6 mt-10 -55.2 -52.02 64.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.446 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . . . -55.02 -54.34 44.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.462 ' CE2' ' O ' ' A' ' 83' ' ' LYS . 3.1 t80 -61.09 -36.44 79.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.53 -24.78 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.571 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -82.82 -50.5 8.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.528 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . 3.7 tt -58.77 -29.63 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 6.4 m -66.81 -29.02 68.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -67.32 -39.68 85.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.528 ' CD2' ' HA ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -59.97 -45.26 93.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' ALA . 3.4 mt -90.09 -78.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -35.97 120.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.38 -34.36 5.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -81.7 175.08 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 0.714 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -153.67 150.75 23.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . 0.576 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.508 1.793 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -91.68 -58.11 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 110.055 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t 61.81 138.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.92 146.85 0.57 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p -120.3 101.65 7.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.994 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.8 t 61.73 145.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.99 102.2 0.15 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -179.71 152.61 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 0.0 110.985 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 171.35 159.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.2 160.9 31.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 m -161.99 113.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -111.07 -40.42 4.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.91 157.22 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.433 ' CG2' ' HB2' ' A' ' 111' ' ' ALA . 38.9 mm -55.48 -65.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.4 71.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.61 -27.38 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 67.6 tp -55.85 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 7.5 tt0 -48.17 -28.15 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -68.08 -40.51 82.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -75.46 -44.97 41.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -50.03 -53.65 25.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -45.99 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 92.3 mttt -53.81 -56.21 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 38.5 m-85 -65.87 -31.55 72.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.36 -47.91 74.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 pt -92.0 14.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' CD2' ' HE2' ' A' ' 44' ' ' LYS . 5.7 t-80 -40.8 112.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.598 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.68 -61.72 0.9 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.01 105.85 0.45 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -23.87 13.32 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -40.37 56.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -46.26 132.87 9.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.73 -17.23 21.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.88 30.23 6.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -105.1 -26.65 12.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 77' ' ' ILE . 6.7 mm-40 -125.33 157.83 35.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 ttm -138.88 122.06 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.08 143.41 47.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.673 ' CA ' ' CE1' ' A' ' 66' ' ' PHE . . . -55.45 -27.44 47.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -68.78 -37.5 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.48 -39.31 20.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.547 ' CZ2' ' HB2' ' A' ' 85' ' ' ALA . 1.7 t-105 -54.34 -58.67 6.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.7 -49.02 66.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.493 ' HE2' ' CD2' ' A' ' 27' ' ' HIS . 16.4 tttt -55.3 -47.77 75.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.576 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 10.6 tp -57.1 -29.28 63.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' ALA . 75.6 m -87.49 9.73 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' CD ' ' HB2' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.91 -55.29 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.45 -35.16 76.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 68.0 m -83.15 4.22 27.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.78 48.18 23.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.9 t -92.89 -33.91 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -102.03 80.22 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.21 -37.16 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.405 ' CA ' ' O ' ' A' ' 57' ' ' VAL . . . 112.57 -30.57 7.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -78.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -67.89 -40.42 83.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 23.0 t -113.88 121.85 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.49 ' O ' ' N ' ' A' ' 61' ' ' ASP . 18.5 p -112.47 141.49 46.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.42 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -43.63 -25.04 0.49 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 58' ' ' THR . 2.2 m -76.81 -39.76 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.37 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -64.26 -46.81 82.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.472 ' CG2' HD12 ' A' ' 89' ' ' LEU . 4.4 p -63.04 -36.97 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.32 -40.25 95.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mt -69.98 -51.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.48 HG11 ' CB ' ' A' ' 85' ' ' ALA . 4.5 t -53.0 -44.62 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.673 ' CE1' ' CA ' ' A' ' 39' ' ' GLY . 35.9 t80 -59.17 -35.29 73.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.441 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -90.08 -1.82 58.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -23.33 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 81' ' ' GLU . 8.8 m -88.79 -44.95 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 5.1 pttt -75.59 -164.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -123.19 153.29 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -20.96 4.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.9 t -85.51 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.47 151.95 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -113.7 -16.64 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.408 ' C ' ' OE1' ' A' ' 36' ' ' GLU . 0.8 OUTLIER -116.98 175.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.57 HG22 ' CE1' ' A' ' 66' ' ' PHE . 10.3 pt -126.76 156.67 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -109.55 158.79 17.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 10.6 t80 -40.84 -49.1 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -50.87 -48.49 60.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 35.3 mt-10 -72.43 -41.88 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 56.7 t80 -51.83 -50.95 59.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -62.0 -28.54 69.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -64.64 -45.42 86.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.45 -43.29 97.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 46.5 mt -56.56 -39.12 72.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 3.8 mm-40 -63.79 -38.65 91.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -73.63 -29.38 62.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.495 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 40.3 mt -97.9 1.97 48.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -79.05 -55.33 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.6 p -77.29 -20.93 54.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 13.0 mtpt -83.44 -30.24 27.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 20.4 tpt85 -80.56 -65.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.576 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 72.0 m-85 -73.2 172.81 10.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.94 -135.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.99 45.88 1.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.422 ' HG3' ' HG2' ' A' ' 95' ' ' LYS . 2.1 mttp -69.37 179.51 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 m -81.0 157.71 25.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -42.01 65.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.24 -51.05 11.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -55.46 -53.17 59.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.57 77.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.571 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 69.7 t80 -60.65 -41.17 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -26.69 61.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.576 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . . . -72.19 -42.26 66.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 107' ' ' CYS . 9.9 tt -71.22 -28.05 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 106' ' ' ILE . 94.7 m -72.55 -33.3 66.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 108.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.35 -12.45 56.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.5 mt -88.22 -34.36 17.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 113' ' ' LYS . 6.8 mt -92.42 -65.47 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.433 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . . . -40.31 111.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.02 -42.46 1.94 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -71.25 149.13 46.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 23' ' ' LYS . 4.8 mt-10 -121.41 158.5 53.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.568 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.2 Cg_endo -74.96 1.04 8.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.65 161.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.46 -56.01 26.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.3 mt 61.34 118.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.18 82.58 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.0 p -148.8 136.67 14.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.561 0.801 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.4 m -101.73 126.85 48.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.02 123.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 176.97 -179.35 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -168.39 113.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.4 p -54.12 139.49 35.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.371 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -156.91 142.94 9.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.65 -158.74 9.4 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.59 161.96 40.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 83.0 t -110.59 130.95 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -109.3 161.85 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.49 177.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.1 tp 173.29 108.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.4 m -55.21 129.78 39.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.457 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -117.73 97.91 6.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 4.2 t -54.34 -47.63 72.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 m 52.37 101.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -99.43 137.64 37.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 138' ' ' TYR . 48.7 p90 -134.68 132.99 39.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 75.2 p -123.27 167.12 14.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.39 -71.49 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.9 p -100.5 110.24 22.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.99 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -168.43 170.0 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.625 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.45 68.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.27 -59.21 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.11 150.27 43.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.4 t -121.33 154.87 35.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -173.11 155.69 23.18 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 13.1 p -171.77 -56.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.26 121.58 11.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.047 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.0 m -77.19 85.02 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 p -175.61 109.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.83 -123.61 1.92 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 p -81.02 114.56 19.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.3 164.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.86 122.08 0.95 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.26 170.4 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.58 159.96 19.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.17 177.75 5.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.26 136.56 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.023 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 t -46.03 -42.63 13.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.86 176.21 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 1.2 mm -104.55 -151.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 176.0 73.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 148.42 -18.38 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 20' ' ' SER . 43.4 tp -52.48 -72.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 0.727 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.564 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -47.94 -25.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -77.61 -35.63 52.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 17' ' ' LEU . 30.0 m -78.51 -42.38 29.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE1' ' CG ' ' A' ' 82' ' ' PHE . 27.9 t80 -56.9 -51.01 70.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -45.11 42.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -49.82 -56.23 11.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CD1' HD12 ' A' ' 45' ' ' LEU . 50.1 m-85 -65.72 -32.37 73.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.4 -47.51 83.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.8 pt -91.37 13.13 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -39.01 119.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.28 64.83 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -167.8 105.55 0.58 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.1 15.21 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' ALA . 2.7 mmtp -76.53 -49.18 17.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -39.53 126.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.1 m -79.26 -29.35 42.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 102.57 26.12 7.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -114.24 -13.53 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.4 153.86 46.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 77' ' ' ILE . 36.0 ttm -138.57 134.41 33.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -83.79 143.22 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.598 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -49.72 -21.75 3.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -76.42 -40.78 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.734 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -80.85 -21.16 40.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.476 ' CZ2' HG21 ' A' ' 62' ' ' VAL . 5.1 t-105 -75.4 -56.04 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.81 -49.05 76.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -57.05 -47.51 80.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.572 HD12 ' CD1' ' A' ' 24' ' ' PHE . 10.5 tp -57.17 -30.57 64.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 74.1 m -84.6 5.19 28.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.13 -47.54 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.59 -35.72 80.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 91.0 m -87.04 8.33 23.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.88 51.09 16.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -94.82 -31.75 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -105.96 75.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -48.95 -35.53 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 111.5 -31.59 7.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -77.58 -76.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.796 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -66.27 -42.08 88.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.23 120.86 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 61' ' ' ASP . 36.7 p -111.96 141.56 45.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -44.86 -24.02 0.68 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.441 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 1.1 m -70.61 -34.94 72.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -75.7 -52.13 11.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.476 HG21 ' CZ2' ' A' ' 42' ' ' TRP . 4.2 p -58.89 -35.85 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -67.97 -48.74 65.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' A' ' 60' ' ' THR . 23.4 mt -64.65 -48.74 83.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.52 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 5.8 t -52.54 -47.82 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.598 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 31.8 t80 -57.24 -31.56 65.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.62 -8.37 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.95 -9.94 27.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.2 m -105.71 -24.89 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.97 -168.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.87 153.29 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -20.52 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -84.96 -55.6 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.38 156.25 23.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -128.04 4.01 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.14 160.47 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 37' ' ' MET . 22.4 pt -118.14 152.16 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -103.13 159.31 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.564 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 13.1 t80 -41.84 -28.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.94 -49.06 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 81' ' ' GLU . 3.1 mp0 -76.77 -15.32 59.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.581 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 17.2 t80 -82.03 -36.07 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -73.48 -27.26 61.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -63.24 -46.67 85.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.52 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -61.37 -44.61 96.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.581 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 63.4 mt -53.88 -42.43 68.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 2.9 mt-10 -60.45 -43.44 96.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 15.1 mm-40 -69.02 -26.54 65.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 38.3 mt -99.62 1.86 44.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.53 -54.47 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.9 p -77.02 -21.33 54.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.44 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 12.1 mtpt -84.03 -28.16 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 27.5 tpt85 -82.67 -64.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.579 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 72.1 m-85 -79.31 175.95 10.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.19 -148.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -85.97 25.01 7.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 96' ' ' GLY . 10.4 mttt -49.03 177.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.1 m -81.43 153.86 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -48.78 -47.23 42.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.27 -50.16 42.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.44 -51.71 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.38 78.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 38.1 t80 -67.08 -40.32 86.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.0 -22.38 60.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.579 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . . . -80.61 -42.32 22.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 107' ' ' CYS . 10.2 tt -75.51 -33.18 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.43 ' N ' HG22 ' A' ' 106' ' ' ILE . 3.1 m -68.18 -31.19 70.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -74.44 -14.86 60.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.509 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 71.6 mt -78.55 -26.04 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 113' ' ' LYS . 6.5 mt -98.51 -62.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.38 115.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.72 -42.01 2.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.3 mttt -73.08 165.89 24.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -152.08 156.8 34.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.55 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.03 -158.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 73.41 -176.69 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -111.73 79.57 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.7 mp 60.69 117.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -134.62 -113.96 1.4 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.13 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.3 m -108.22 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.784 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.7 p -106.69 147.7 29.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -175.52 156.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -159.48 160.77 35.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.2 155.28 34.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 51.6 m -110.81 157.17 20.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.08 -162.47 35.64 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.7 -152.36 16.22 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.82 172.96 15.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.74 140.07 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.66 151.91 27.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -165.57 162.8 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.249 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.51 150.67 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 4.7 t -149.03 143.66 26.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -148.02 141.93 25.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.3 m -154.39 95.72 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.4 t -130.56 137.27 49.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.963 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.33 164.25 30.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.8 167.2 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 11.6 t -124.75 163.0 23.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -92.11 -156.55 32.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.2 168.97 17.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -142.32 174.74 10.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.612 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.81 154.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 177.27 -57.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -38.85 130.72 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 92.8 p -174.99 111.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -169.33 101.68 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -179.24 4.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.84 157.53 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.963 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.2 t -117.65 154.1 32.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.162 . . . . 0.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -128.36 -58.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 p -88.23 90.91 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.4 -103.79 1.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -73.29 80.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.18 82.44 1.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.19 -85.09 0.87 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 50.62 99.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.8 88.22 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.67 166.71 23.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.83 110.36 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 6.9 t -128.46 -49.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -104.98 170.47 7.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.501 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 26.4 mm -46.05 -71.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 69.77 71.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.9 -26.43 0.25 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 20' ' ' SER . 50.2 tp -57.88 -81.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 6.5 tt0 -47.18 -25.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -74.01 -39.15 63.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 17' ' ' LEU . 10.5 p -78.11 -45.19 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.46 -52.24 39.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -49.78 -48.22 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' SER . 74.3 mttt -49.23 -50.54 38.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 115' ' ' PRO . 41.7 m-85 -69.99 -31.37 69.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.67 -47.64 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . 1.6 pt -92.15 13.34 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' ILE . 31.8 t-80 -39.06 103.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.95 -57.47 1.8 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -41.46 106.03 0.42 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.33 9.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -28.93 61.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.455 ' CB ' ' HA ' ' A' ' 26' ' ' ILE . . . -54.71 125.89 21.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.5 p -91.56 -10.39 40.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.31 35.26 9.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -114.81 -14.99 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.791 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 77' ' ' ILE . 8.3 mm-40 -136.29 158.19 45.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.2 ttm -138.31 121.08 16.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.3 m-20 -76.41 143.15 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.537 ' CA ' ' CE1' ' A' ' 66' ' ' PHE . . . -46.92 -29.29 4.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -38.65 78.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 73.4 m-20 -81.42 -29.55 33.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.606 ' CZ3' ' SG ' ' A' ' 46' ' ' CYS . 5.0 t-105 -69.99 -67.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.03 -47.74 8.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -58.4 -49.06 78.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.554 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . 13.5 tp -59.04 -27.59 65.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.606 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 57.5 m -92.18 23.16 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.349 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -134.69 -54.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.44 -38.56 87.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.8 m -76.31 -3.29 35.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.16 39.6 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.152 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.7 t -87.2 -37.45 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -101.29 84.64 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 93' ' ' ARG . 54.5 t0 -59.24 -35.36 73.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.14 -28.28 9.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.53 -75.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -66.33 -41.17 90.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t -116.3 120.11 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.499 ' O ' ' N ' ' A' ' 61' ' ' ASP . 29.3 p -108.28 141.37 40.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.95 -24.38 0.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m -76.96 -36.61 56.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -68.26 -47.01 68.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.178 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.481 ' CG2' HD12 ' A' ' 89' ' ' LEU . 5.0 p -62.85 -41.08 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -41.18 83.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 mt -70.55 -47.93 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 5.1 t -54.35 -47.73 69.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CE1' ' CA ' ' A' ' 39' ' ' GLY . 44.2 t80 -57.96 -34.98 70.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.33 -2.07 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.428 ' CE ' ' HA ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -99.55 -21.36 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.2 m -93.36 -28.13 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.457 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -101.0 177.38 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.67 151.82 23.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.15 -23.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -82.56 -66.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.3 143.22 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -114.04 6.43 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.403 ' C ' ' OE1' ' A' ' 36' ' ' GLU . 3.7 m -139.96 170.11 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.457 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 23.3 pt -127.55 155.46 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' GLU . 19.0 p-10 -110.18 155.69 21.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 18' ' ' GLU . 16.8 t80 -41.33 -32.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.52 -45.77 82.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' ASN . 41.4 mt-10 -79.14 -38.92 34.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 15.1 t80 -57.37 -34.93 69.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.08 -30.03 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -66.93 -41.49 86.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.574 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -64.41 -43.95 92.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.56 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 45.5 mt -57.01 -36.98 71.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.572 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 4.3 mt-10 -64.96 -39.37 93.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -72.03 -25.44 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.488 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 63.2 mt -99.46 -5.42 29.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -66.52 -59.37 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 95' ' ' LYS . 19.5 p -77.47 -38.37 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 13.5 mtpt -62.44 -13.49 30.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 24.1 tpt85 -108.68 -55.51 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 105' ' ' ALA . 70.3 m-85 -87.95 90.98 8.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 27.04 -117.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -133.41 34.67 2.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 96' ' ' GLY . 20.3 mttt -53.76 -171.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 m -82.16 160.5 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -56.46 -44.11 80.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -73.35 -52.95 12.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.59 -51.56 66.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -54.86 -57.14 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 40.0 t80 -55.23 -41.91 72.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -21.73 66.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.57 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -84.11 -45.81 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 107' ' ' CYS . 5.2 tt -68.2 -29.04 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.443 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 12.6 m -72.05 -24.22 61.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -79.83 -15.06 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.44 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 52.9 mt -84.56 -31.0 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 113' ' ' LYS . 5.9 mt -97.15 -62.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.501 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -43.82 112.33 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.0 -37.54 3.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 110' ' ' ILE . 3.4 mttm -76.03 169.21 18.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.2 pm0 -151.86 156.73 34.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -74.98 -158.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 117' ' ' ASN . . . -41.69 131.42 3.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 116' ' ' ALA . 5.2 t30 171.33 91.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 119' ' ' GLY . 30.9 mm 52.66 50.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' ILE . . . 37.5 91.56 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.9 m -112.28 108.1 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 t -171.08 124.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.366 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.4 56.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.23 164.31 31.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.0 110.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 38.1 p -109.49 170.91 7.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.86 101.25 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -79.4 -152.64 7.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.65 115.45 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 0.727 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.1 m -104.2 131.66 52.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -80.13 140.83 36.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.18 172.32 13.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 173.41 159.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 16.4 m -152.63 138.59 18.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.377 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.39 160.37 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 99.6 m -117.16 87.29 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.15 -54.93 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? 62.15 172.26 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.84 135.62 36.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.8 m -115.0 -60.4 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 176.53 152.57 9.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.0 p -119.96 146.85 45.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 109.988 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -95.5 119.86 34.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.628 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -124.28 142.21 51.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -141.5 140.23 33.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -139.75 134.28 31.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 36.6 t -79.0 147.22 32.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -121.47 83.34 0.36 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.86 30.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.3 t -131.12 132.28 44.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.499 1.125 . . . . 0.0 110.006 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.53 -58.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -116.6 164.46 14.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.946 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -113.81 99.61 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.08 163.36 34.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.57 104.02 10.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.61 126.23 3.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.8 91.35 0.18 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.127 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.8 tpp -110.13 133.65 53.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.94 104.53 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.13 128.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.8 m -103.9 119.59 39.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.6 t -170.24 -49.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -137.2 170.15 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.454 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 18.3 mm -60.07 -67.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 65.62 70.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.9 -27.38 0.23 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 20' ' ' SER . 60.1 tp -54.36 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -46.91 -26.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.46 -38.72 65.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 17' ' ' LEU . 9.7 p -76.1 -45.9 31.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' CD1' ' CG ' ' A' ' 82' ' ' PHE . 19.8 t80 -51.88 -50.9 60.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.13 -48.42 67.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 14.9 mttm -50.06 -42.88 50.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.577 ' CD1' ' HB2' ' A' ' 45' ' ' LEU . 29.8 m-85 -82.53 -22.92 34.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -73.02 -47.71 42.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 32' ' ' ALA . 20.5 pt -91.83 16.27 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -53.31 119.43 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 49.36 65.49 2.73 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 178.04 106.78 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -20.22 17.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -68.83 -56.59 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' ' CG2' ' A' ' 26' ' ' ILE . . . -39.01 130.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 m -104.33 7.99 35.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.09 32.17 32.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -113.75 -15.37 12.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -136.37 154.13 50.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 19.2 ttm -139.74 117.41 11.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.45 ' ND2' ' CG1' ' A' ' 76' ' ' VAL . 1.8 m120 -72.94 143.37 47.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.624 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.72 -39.23 23.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -61.55 -27.6 68.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -92.18 -32.3 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.498 ' CZ2' ' HB2' ' A' ' 85' ' ' ALA . 2.2 t-105 -70.41 -66.2 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.3 -51.98 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -54.14 -36.66 63.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.577 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . 11.6 tp -71.03 -27.15 63.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.48 ' O ' ' N ' ' A' ' 52' ' ' ALA . 58.7 m -92.97 24.89 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 -63.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.24 -39.06 78.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 60.0 m -71.63 -6.36 40.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt 67.37 42.11 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.4 t -92.8 -32.42 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -109.98 83.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -61.96 -32.01 72.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.455 ' O ' ' CG2' ' A' ' 58' ' ' THR . . . 114.46 -31.77 6.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.433 1.083 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -83.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 0.793 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.15 -41.94 72.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.45 118.7 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 61' ' ' ASP . 81.5 p -108.62 141.92 39.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -44.8 -23.97 0.66 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.426 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 1.2 m -72.84 -34.45 66.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.757 . . . . 0.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -75.09 -50.44 16.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.402 ' CG2' HD13 ' A' ' 89' ' ' LEU . 4.3 p -60.04 -36.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.11 -42.69 93.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.426 ' CD1' ' O ' ' A' ' 60' ' ' THR . 23.9 mt -70.04 -46.46 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.558 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 4.7 t -54.67 -51.32 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.624 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 6.7 t80 -60.08 -31.12 69.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.427 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -88.44 -9.07 53.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -95.66 -43.04 8.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.4 m -66.94 -33.01 60.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 5.5 pttp -86.9 -173.29 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -114.09 165.43 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.93 -13.51 57.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.9 -64.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.04 148.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -111.86 -18.36 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.45 ' CG1' ' ND2' ' A' ' 38' ' ' ASN . 8.8 m -116.35 -176.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 2.9 pt -130.65 149.06 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.19 160.02 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.494 ' CZ ' ' HD3' ' A' ' 83' ' ' LYS . 16.0 t80 -43.91 -58.48 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.66 -34.7 12.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -82.46 -31.85 29.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.505 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 43.7 t80 -63.68 -32.78 74.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.494 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 4.0 mtmt -77.34 -26.25 51.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -43.72 89.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.558 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -67.59 -42.68 82.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 35.1 mt -56.75 -42.88 80.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.533 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -60.1 -39.78 87.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 57.5 mm-40 -70.74 -30.76 67.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.489 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 55.7 mt -93.43 -3.01 53.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -76.58 -58.12 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.4 p -77.33 -20.0 55.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.453 ' CG ' ' O ' ' A' ' 88' ' ' GLU . 23.3 mtpt -84.01 -19.1 35.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 5.7 tpt180 -99.46 -66.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 105' ' ' ALA . 78.6 m-85 -76.45 90.43 3.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.575 ' C ' ' O ' ' A' ' 94' ' ' PHE . 6.7 mtmm 25.98 -125.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -122.56 35.93 3.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 96' ' ' GLY . 8.0 mttm -54.39 -169.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.2 m -84.3 164.95 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -40.94 97.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.98 -52.61 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.17 -51.88 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -54.55 -50.4 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.533 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 53.7 t80 -64.97 -37.99 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -21.86 66.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.577 ' HB2' ' CE2' ' A' ' 94' ' ' PHE . . . -85.14 -47.77 9.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 107' ' ' CYS . 4.8 tt -63.61 -30.02 48.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 22.5 m -71.16 -25.35 62.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 108.291 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -79.15 -12.03 59.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.443 HD13 ' CE2' ' A' ' 94' ' ' PHE . 34.1 mt -88.14 -34.37 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 113' ' ' LYS . 5.1 mt -97.37 -65.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -40.95 112.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.89 -41.47 2.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -71.19 158.78 35.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.69 156.13 78.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo -74.97 1.26 7.92 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -119.16 -174.84 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 50.47 76.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.417 ' CD1' ' N ' ' A' ' 118' ' ' ILE . 2.0 mp -107.12 83.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -82.18 -113.21 0.43 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.9 p -169.64 145.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -126.9 142.65 51.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 109.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -172.84 171.57 4.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -130.46 112.2 13.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 68.5 p -95.02 136.7 35.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -136.84 -151.22 5.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 60.1 86.15 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.14 154.02 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.0 p -170.39 61.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 131' ' ' ARG . 1.4 m-20 -90.13 127.06 36.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 1.8 mtp180 175.97 179.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.425 ' CB ' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER 168.7 104.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 2.8 t -162.01 52.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.416 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -127.41 133.01 50.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.2 m -146.16 90.81 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 93.6 p -142.28 81.27 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -166.8 143.11 4.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -146.01 118.12 8.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 6.1 t -97.22 138.1 35.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.438 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -118.31 -166.12 13.6 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.03 153.9 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.959 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 47.5 m170 -50.98 -62.01 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.13 85.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.27 140.22 48.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -86.16 155.4 20.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.95 95.4 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -104.08 106.67 2.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.87 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.47 120.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.69 133.89 55.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -168.73 159.81 10.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.09 163.25 15.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.57 168.27 53.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 p -172.74 134.64 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -148.26 -62.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.36 143.27 13.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.54 170.35 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.75 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.2 156.7 44.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.8 177.74 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.61 76.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.415 HG21 ' N ' ' A' ' 13' ' ' ASP . 1.3 m -106.38 -80.73 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.415 ' N ' HG21 ' A' ' 12' ' ' THR . 0.8 OUTLIER -109.86 170.71 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.469 ' CG2' ' HB1' ' A' ' 111' ' ' ALA . 38.0 mm -43.11 -70.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 68.72 72.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.52 0.28 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 tp -56.87 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -47.39 -29.35 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -71.19 -42.01 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 t -75.0 -46.49 34.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -52.12 -50.35 61.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -47.56 43.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.47 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 17.7 mttm -51.2 -47.87 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 115' ' ' PRO . 49.2 m-85 -75.14 -29.81 60.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.66 -47.83 77.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 10.6 pt -92.91 15.09 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CE1' ' HE2' ' A' ' 44' ' ' LYS . 12.0 t-80 -39.32 105.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.12 -60.68 1.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -42.73 106.15 0.46 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.92 8.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -47.28 66.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.15 130.28 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 m -104.98 12.29 32.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.71 37.83 33.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -115.4 -14.16 11.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -141.39 154.31 45.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.407 ' HE3' ' CD2' ' A' ' 45' ' ' LEU . 29.5 ttm -136.31 117.26 14.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.463 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -73.17 144.31 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.635 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -50.76 -36.92 33.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -61.87 -31.88 72.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -87.36 -38.17 16.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.598 ' CZ3' ' SG ' ' A' ' 46' ' ' CYS . 4.2 t-105 -60.93 -64.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.34 -49.67 33.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 27' ' ' HIS . 12.4 tttt -56.64 -39.6 73.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.565 ' HB2' ' CD1' ' A' ' 24' ' ' PHE . 13.7 tp -68.61 -26.43 65.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.598 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 14.4 m -91.59 27.41 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 -52.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -61.9 -36.64 81.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.5 m -79.86 0.13 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.33 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt 67.1 41.16 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -87.69 -40.78 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -97.24 -177.16 3.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -169.1 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 122.69 -19.34 7.96 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.22 -78.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.46 84.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.9 t -123.54 122.55 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 41.4 p -105.81 140.77 38.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.44 -20.57 2.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.419 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 1.4 m -77.12 -27.58 54.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.51 -46.89 16.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.467 HG22 ' CZ2' ' A' ' 42' ' ' TRP . 4.0 p -60.4 -37.08 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -47.04 75.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.419 ' CD1' ' O ' ' A' ' 60' ' ' THR . 25.2 mt -64.97 -48.13 85.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 5.4 t -53.88 -50.86 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.635 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 6.0 t80 -59.95 -27.53 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.412 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -90.61 -12.08 38.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -90.77 -41.73 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' A' ' 77' ' ' ILE . 11.8 m -68.39 -45.79 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 4.5 pttp -71.59 -175.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -121.68 147.49 45.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' ALA . 1.8 ttmm -40.29 -29.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -79.03 -73.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.68 148.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -114.41 -16.23 11.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.456 ' CG2' ' HG2' ' A' ' 36' ' ' GLU . 34.6 m -119.93 -175.36 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 69' ' ' VAL . 1.8 pt -133.41 148.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 81' ' ' GLU . 8.9 p-10 -104.43 157.72 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 14.0 t80 -40.89 -35.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.6 -48.51 77.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -75.46 -39.24 58.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.571 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 23.2 t80 -57.77 -34.15 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -29.35 63.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -69.69 -40.91 76.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.564 ' HB2' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.28 -45.18 92.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.571 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 56.0 mt -55.41 -44.11 75.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.583 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.2 mt-10 -58.05 -38.45 76.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.242 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -72.82 -27.28 61.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.481 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 53.8 mt -98.53 0.64 45.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.26 -57.19 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.2 p -77.08 -23.24 51.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -79.57 -29.55 41.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 13.8 tpt180 -83.81 -65.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 105' ' ' ALA . 75.4 m-85 -73.69 170.02 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.48 -139.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.69 50.17 2.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.417 ' HG3' ' HG2' ' A' ' 95' ' ' LYS . 3.1 mttm -73.07 177.7 4.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 m -78.31 150.61 33.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -47.93 -42.29 26.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.39 -49.71 14.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -55.31 -52.74 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.8 76.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.583 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 31.1 t80 -66.62 -40.27 88.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.64 -22.86 58.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -76.3 -43.57 40.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.443 HG21 ' N ' ' A' ' 107' ' ' CYS . 12.5 tt -69.8 -29.36 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.443 ' N ' HG21 ' A' ' 106' ' ' ILE . 57.9 m -72.38 -31.61 65.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 108.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -65.3 -11.12 38.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.4 mt -92.66 -32.27 14.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 113' ' ' LYS . 7.0 mt -91.27 -64.35 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.469 ' HB1' ' CG2' ' A' ' 14' ' ' ILE . . . -40.63 115.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.26 -42.34 1.93 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER -66.6 168.92 8.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -148.84 157.18 40.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.577 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo -74.95 1.55 7.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.87 178.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -77.35 -56.23 4.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.6 mm -118.08 107.48 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.67 -98.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -172.65 155.36 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 0.736 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 55.5 p 45.91 -168.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -175.13 67.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 56.67 176.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.91 109.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 68.0 p -48.83 155.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.433 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -115.71 -164.49 14.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.64 161.65 16.79 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.36 156.79 42.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.4 m -90.86 129.9 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -152.45 168.38 25.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.4 153.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 173.23 149.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.9 t -86.18 162.86 18.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.23 154.8 50.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 18.9 m -152.13 107.81 3.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -58.47 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.98 171.75 14.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.85 167.46 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 13.4 t -44.27 159.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -90.33 -133.94 5.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.56 1.162 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.96 170.33 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.958 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -155.29 178.36 10.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.96 170.59 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -133.47 134.7 43.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.76 162.27 35.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.0 t 73.76 159.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.962 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -167.67 -119.97 0.5 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -179.22 4.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.81 169.47 17.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 13.5 m -126.47 171.44 11.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.61 166.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.7 124.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.86 -61.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -46.41 152.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 109.954 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.77 144.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.73 -158.21 9.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 mmt -103.13 171.98 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.86 137.31 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.63 165.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -176.86 132.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.412 HG22 ' N ' ' A' ' 13' ' ' ASP . 9.8 t -89.41 -46.2 8.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.412 ' N ' HG22 ' A' ' 12' ' ' THR . 3.8 m-20 -92.34 -179.63 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.469 ' CG2' ' HB1' ' A' ' 111' ' ' ALA . 24.2 mm -53.08 -68.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.65 70.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.44 -28.2 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 20' ' ' SER . 53.9 tp -56.57 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.494 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 6.9 tt0 -47.27 -29.13 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.73 -39.39 76.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.446 ' HB2' ' CG2' ' A' ' 110' ' ' ILE . 15.0 m -77.43 -47.3 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -50.66 -51.04 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -46.12 64.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -52.15 -56.0 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.573 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 40.6 m-85 -63.6 -31.99 73.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.16 -47.4 82.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 15.6 pt -88.82 11.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.616 ' CD2' ' CE ' ' A' ' 44' ' ' LYS . 16.8 t-80 -40.58 118.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.47 63.94 1.98 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -171.48 103.93 0.38 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -22.6 14.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.788 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -75.93 -38.63 57.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -47.92 126.73 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.2 m -81.07 -23.15 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.78 27.71 10.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -114.38 -14.0 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -126.99 152.18 47.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.409 ' HE2' ' CB ' ' A' ' 24' ' ' PHE . 34.4 ttm -137.47 118.58 14.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.7 m-20 -73.62 143.32 46.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.614 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.45 -35.6 10.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -63.73 -35.89 82.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ASN . 10.7 m-20 -83.22 -37.79 23.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.57 ' CD1' ' HB2' ' A' ' 66' ' ' PHE . 4.7 t-105 -60.06 -57.09 14.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 107.96 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.83 -52.34 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.616 ' CE ' ' CD2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -53.37 -37.04 62.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 10.3 tp -69.49 -25.63 64.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 31.8 m -93.36 33.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.33 -65.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -43.28 84.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.8 m -65.98 -9.78 33.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 108.293 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt 69.65 34.78 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.411 HG11 ' CG1' ' A' ' 106' ' ' ILE . 2.0 t -80.66 -36.32 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -94.33 -177.9 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.8 -43.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.33 -26.71 7.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.17 -79.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.85 -45.92 87.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.5 t -123.53 119.52 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 61' ' ' ASP . 57.7 p -99.93 139.34 35.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' O ' ' CG1' ' A' ' 62' ' ' VAL . . . -44.67 -25.9 0.97 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -76.0 -40.5 53.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -58.8 -42.74 89.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.564 HG22 ' CZ2' ' A' ' 42' ' ' TRP . 5.2 p -61.77 -25.97 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.459 ' N ' HG12 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -77.54 -48.04 17.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.3 mt -60.45 -49.23 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.495 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.7 t -59.0 -42.16 85.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.614 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 14.0 t80 -60.6 -33.61 73.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 t -89.19 -7.03 56.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.451 ' CE ' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -94.44 -24.08 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 m -90.29 -30.12 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 0.0 OUTLIER -95.04 178.52 5.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -113.25 144.04 43.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -40.3 -30.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.421 ' N ' ' C ' ' A' ' 71' ' ' ALA . 28.0 p -72.92 -73.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.47 145.53 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -113.26 -2.08 14.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.27 162.36 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.45 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 36.0 pt -115.79 150.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -105.59 160.11 15.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 18' ' ' GLU . 19.3 t80 -46.57 -26.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -76.07 -35.86 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 78' ' ' ASN . 27.8 mt-10 -90.24 -24.68 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 86' ' ' LEU . 13.5 t80 -73.6 -28.66 61.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -28.89 61.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.89 -42.5 90.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.534 ' HB3' ' CH2' ' A' ' 42' ' ' TRP . . . -63.39 -44.97 93.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 43.1 mt -57.31 -31.5 65.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.566 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -71.39 -38.21 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -75.0 -30.42 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 55.5 mt -94.98 -8.87 35.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -64.75 -58.91 4.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 p -76.96 -41.93 41.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -57.71 -20.32 33.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 52.2 tpt85 -100.34 -54.2 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.598 ' O ' ' C ' ' A' ' 95' ' ' LYS . 69.1 m-85 -88.25 93.82 9.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 24.22 -120.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -129.76 33.96 2.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 96' ' ' GLY . 28.4 mttt -53.1 -172.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m -81.77 162.54 22.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.047 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -57.46 -44.94 85.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 104' ' ' ASP . 3.0 mm-40 -72.89 -52.65 13.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.66 -51.45 67.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -52.91 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.566 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 49.4 t80 -62.13 -32.76 73.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -71.88 -22.93 61.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.575 ' CB ' ' CE2' ' A' ' 94' ' ' PHE . . . -84.19 -45.99 12.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 107' ' ' CYS . 6.3 tt -65.98 -34.49 70.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.433 ' N ' HG22 ' A' ' 106' ' ' ILE . 34.0 m -68.93 -31.4 70.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.293 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -71.07 -15.43 62.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.402 HD13 ' CE1' ' A' ' 94' ' ' PHE . 64.3 mt -84.07 -34.74 24.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 113' ' ' LYS . 6.9 mt -94.12 -62.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.469 ' HB1' ' CG2' ' A' ' 14' ' ' ILE . . . -41.63 111.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 107.86 -41.01 2.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -73.69 169.09 18.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -149.72 156.71 38.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.2 Cg_endo -74.98 -158.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 115' ' ' PRO . . . 82.05 -157.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.36 -34.79 65.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 66.1 mt 66.73 104.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -166.12 57.16 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.6 m -116.94 -173.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.8 m 62.44 158.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -177.34 59.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -104.37 177.1 4.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -111.53 156.15 22.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.5 m -65.65 -62.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 127.53 -136.33 9.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.3 170.33 36.02 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -119.85 -173.01 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . 0.411 ' CG2' ' N ' ' A' ' 130' ' ' ASP . 9.7 m -66.12 -144.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.411 ' N ' ' CG2' ' A' ' 129' ' ' VAL . 6.6 p-10 172.01 170.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -125.94 -68.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 133' ' ' THR . 0.3 OUTLIER 71.92 -60.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.425 ' N ' ' HG ' ' A' ' 132' ' ' LEU . 41.5 p -62.05 99.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -169.79 122.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 24.1 m -128.25 -71.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.65 99.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -157.92 147.56 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -147.31 113.7 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 53.6 m -122.67 118.56 28.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.443 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 157.27 87.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.4 t -176.65 157.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 171.46 17.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.623 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -174.67 -68.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 70.89 148.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -119.27 158.8 25.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.65 158.45 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -99.6 165.45 20.22 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.05 3.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.73 163.64 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.22 170.56 9.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.957 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -73.96 149.83 41.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.743 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.92 89.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.02 80.35 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -130.72 84.65 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 0.756 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.1 137.69 18.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.44 -71.18 0.3 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.36 92.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.6 82.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.95 -162.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.76 -147.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 13' ' ' ASP . 3.2 t -84.67 -49.18 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.461 ' N ' ' CG2' ' A' ' 12' ' ' THR . 2.3 p30 -95.85 160.26 14.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 111' ' ' ALA . 45.5 mm -41.65 -76.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 73.89 74.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.01 -24.25 0.47 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.3 tp -57.95 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.375 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.16 -26.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -73.57 -46.18 48.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.401 ' HB2' ' CG2' ' A' ' 110' ' ' ILE . 51.0 m -69.0 -42.27 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CE2' ' SD ' ' A' ' 37' ' ' MET . 6.2 t80 -54.72 -53.02 60.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' CD ' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -54.26 -45.38 72.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -50.24 -43.04 52.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.581 ' CD1' HD12 ' A' ' 45' ' ' LEU . 21.6 m-85 -82.86 -22.56 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.525 ' CB ' ' SD ' ' A' ' 37' ' ' MET . . . -75.05 -46.74 32.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.8 pt -89.41 24.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 115' ' ' PRO . 0.8 OUTLIER -99.76 98.63 9.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.572 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.78 -42.87 1.12 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -127.38 134.33 26.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -24.49 12.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' ALA . 14.2 mttm -68.63 -32.8 72.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -39.71 132.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.4 t -96.4 -15.13 21.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' HA3' ' CD ' ' A' ' 22' ' ' ARG . . . 93.41 23.06 25.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -113.37 -4.27 13.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -134.49 151.11 50.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.618 ' SD ' ' CE2' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -142.89 137.58 29.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -94.04 143.65 26.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.713 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -57.22 -17.36 23.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -72.3 -40.06 67.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' LEU . 1.4 m120 -83.15 -40.5 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.536 ' CZ2' ' HB1' ' A' ' 85' ' ' ALA . 2.4 t-105 -52.02 -44.69 64.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 107.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' CYS . . . -69.08 -60.87 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -49.81 -24.65 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.581 HD12 ' CD1' ' A' ' 24' ' ' PHE . 9.8 tp -78.4 -31.99 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -72.65 -12.7 61.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 108.271 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -46.56 4.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.84 -43.15 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 m -82.76 -12.88 57.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm 71.53 42.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.279 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.6 t -82.74 -41.27 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . . . -91.27 -166.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -173.06 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' VAL . . . 122.71 -25.12 6.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -84.43 -76.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -71.2 -38.81 72.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLY . 25.0 t -124.71 119.85 57.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 61' ' ' ASP . 57.6 p -106.4 140.56 39.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.6 -21.82 2.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 111.042 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.451 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 1.1 m -74.27 -28.97 61.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -79.78 -50.59 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.521 HG22 ' CZ2' ' A' ' 42' ' ' TRP . 4.3 p -57.36 -34.66 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -72.01 -48.3 45.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 60' ' ' THR . 36.0 mt -63.62 -49.62 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.525 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 4.7 t -52.03 -49.03 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.713 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 2.3 t80 -58.61 -33.79 70.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.402 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 11.9 t -89.71 0.06 57.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.22 -23.64 13.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 70' ' ' LYS . 11.0 m -85.31 -42.34 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' VAL . 16.8 pttp -56.67 -164.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.32 -153.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -20.73 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.5 t -142.68 -88.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 54.1 171.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.413 ' O ' ' CG1' ' A' ' 76' ' ' VAL . 6.9 ptt180 -137.82 13.06 2.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -164.3 172.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.502 HG21 ' CE2' ' A' ' 66' ' ' PHE . 5.2 pt -129.13 155.11 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.2 p30 -104.07 158.54 16.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -43.06 -46.87 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -55.73 -36.95 67.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' ASN . 53.7 mt-10 -83.06 -23.51 33.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.57 ' CE2' HD11 ' A' ' 86' ' ' LEU . 47.3 t80 -73.61 -34.25 64.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -74.91 -27.54 60.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -66.28 -47.57 73.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.536 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -61.14 -44.5 97.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.57 HD11 ' CE2' ' A' ' 82' ' ' PHE . 39.2 mt -52.29 -42.6 63.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 16.8 mt-10 -59.19 -50.02 75.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 5.7 mm-40 -62.99 -26.67 68.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 53.3 mt -99.3 2.1 45.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.26 -56.59 4.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.1 p -77.19 -19.08 57.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 9.0 mtpt -85.79 -23.87 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 45.0 tpt85 -89.01 -66.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.564 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 68.6 m-85 -75.16 175.85 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.28 -148.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -86.55 24.75 8.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 96' ' ' GLY . 13.5 mttt -48.93 177.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.5 m -79.91 160.28 26.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -50.95 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -68.1 -49.5 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -55.5 -51.7 66.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.72 95.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.595 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 52.9 t80 -67.96 -35.16 77.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.34 -36.33 53.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.564 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . . . -63.12 -39.86 95.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.466 HG21 ' N ' ' A' ' 107' ' ' CYS . 6.8 tt -73.14 -27.88 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.466 ' N ' HG21 ' A' ' 106' ' ' ILE . 17.6 m -71.09 -32.45 69.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -71.39 -14.04 62.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.401 HD13 ' CZ ' ' A' ' 94' ' ' PHE . 65.7 mt -82.34 -38.28 24.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.5 mt -93.22 -60.53 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.474 ' HB3' ' CG2' ' A' ' 14' ' ' ILE . . . -41.13 105.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.76 -46.07 1.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.6 mttm -64.88 165.48 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.41 156.55 36.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.559 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.0 0.9 8.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.72 -169.49 1.56 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.1 t30 44.48 82.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 3.3 mp -93.48 57.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -138.68 56.46 0.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 120' ' ' VAL . 11.1 m -101.9 100.26 10.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.9 t -127.87 117.67 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -172.19 84.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -146.0 152.37 39.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.24 161.16 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 81.4 p -39.73 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -101.89 -107.32 3.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 98.61 -131.15 10.47 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 64.41 164.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 35.2 m -139.4 98.08 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -106.63 117.7 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.51 172.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 173.66 141.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 24.3 m 43.56 75.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.42 115.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 4.1 t -157.34 -49.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.2 m -60.92 -56.48 20.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 tttp 54.9 90.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -154.64 120.06 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 43.1 p -83.18 121.83 27.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -69.44 91.01 0.3 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.2 t -130.46 114.6 15.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -145.3 155.86 43.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.93 161.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.39 112.14 19.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -171.1 91.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.24 126.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.055 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -148.05 79.33 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -41.93 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 66.5 m -147.96 94.45 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.0 t -166.14 -60.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -119.87 129.31 54.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.64 100.43 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.5 119.86 0.9 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -169.89 170.71 7.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.14 -59.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.12 67.2 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 38.26 87.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.99 114.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.59 135.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m -147.42 110.34 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -168.79 -47.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.385 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.41 169.43 9.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.471 HG23 ' CB ' ' A' ' 111' ' ' ALA . 1.2 mm -104.27 -156.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -178.75 77.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.59 -13.12 2.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 20' ' ' SER . 59.8 tp -51.16 -74.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.519 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 10.7 tt0 -46.98 -30.15 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -69.1 -36.83 77.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' LEU . 67.8 m -75.67 -49.02 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' ALA . 31.1 t80 -50.05 -52.61 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' NH1' ' OE1' ' A' ' 18' ' ' GLU . 2.8 mtt180 -48.93 -47.67 43.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 17.7 mttm -52.11 -53.01 47.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 45.8 m-85 -70.46 -25.42 63.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -73.57 -47.93 36.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.527 ' CG2' ' CA ' ' A' ' 34' ' ' GLY . 4.7 pt -92.13 16.58 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -54.98 115.77 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.623 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.75 57.75 17.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -168.38 106.8 0.53 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -24.49 12.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -36.71 51.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.408 ' CB ' ' HA ' ' A' ' 26' ' ' ILE . . . -50.58 126.58 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -92.01 -6.55 50.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' CA ' ' CG2' ' A' ' 26' ' ' ILE . . . 84.44 36.11 12.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' OD1' ' A' ' 78' ' ' ASN . 4.9 mt-30 -115.43 -30.79 6.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.81 157.34 23.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.437 ' HE2' ' CD1' ' A' ' 21' ' ' PHE . 45.2 ttm -143.22 133.66 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -84.92 143.3 29.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.591 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.15 -32.15 6.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -42.54 83.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -76.64 -27.96 55.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CZ2' ' HB3' ' A' ' 85' ' ' ALA . 3.2 t-105 -70.2 -70.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.12 -54.7 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -54.07 -40.85 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.588 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 10.5 tp -66.08 -25.51 67.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.507 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 13.6 m -93.62 37.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -142.74 -68.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.62 -26.54 56.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 56.8 m -84.75 6.49 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 108.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.9 mptt 59.6 40.41 20.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.5 t -91.53 -40.89 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -105.63 -178.35 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.29 -42.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 125.14 -23.2 6.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.19 -79.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.59 -42.4 98.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.74 125.55 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 61' ' ' ASP . 44.4 p -108.23 140.6 41.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.01 -21.4 2.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -77.51 -29.37 52.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -78.94 -48.08 15.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.464 ' CG2' HD11 ' A' ' 89' ' ' LEU . 4.7 p -58.28 -37.21 61.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.53 -45.21 84.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 27.7 mt -63.88 -49.01 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.46 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 4.7 t -54.27 -45.36 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.591 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 32.9 t80 -60.71 -32.38 71.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 t -90.74 -4.87 56.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -21.66 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.6 m -93.82 -35.33 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.12 -175.36 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -126.55 148.79 49.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -40.31 -29.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' ALA . 0.6 OUTLIER -74.82 -74.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.68 145.14 9.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.66 -10.68 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.6 m -122.31 168.83 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.3 pt -125.22 146.91 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' GLU . 36.3 m-20 -97.4 160.36 14.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.519 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 21.7 t80 -44.36 -32.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.87 -41.35 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' ASN . 36.6 mt-10 -82.89 -14.02 55.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.575 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 39.9 t80 -82.42 -34.04 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -72.3 -29.59 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -60.58 -57.11 14.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.559 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . . . -52.15 -44.6 64.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.575 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 80.6 mt -57.27 -29.84 64.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.436 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -74.59 -36.84 63.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 61.0 mm-40 -76.12 -29.79 57.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.526 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 65.4 mt -94.93 -17.94 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 86' ' ' LEU . . . -52.42 -61.52 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.44 ' O ' ' O ' ' A' ' 95' ' ' LYS . 45.3 p -69.73 -48.13 60.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.433 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' CD ' ' O ' ' A' ' 88' ' ' GLU . 14.7 mtpt -55.35 -24.8 31.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 47.7 tpt85 -89.02 -52.76 4.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.576 ' O ' ' C ' ' A' ' 95' ' ' LYS . 82.9 m-85 -96.39 94.35 7.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 25.13 -119.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -129.82 35.7 2.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 96' ' ' GLY . 12.5 mttt -54.39 -169.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.8 m -83.49 158.74 21.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -55.63 -42.52 75.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.29 -52.49 10.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.58 -51.72 66.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.87 63.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.459 ' CE2' ' SG ' ' A' ' 107' ' ' CYS . 64.3 t80 -60.76 -36.51 79.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -28.39 68.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.575 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -78.86 -55.36 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.442 ' CG1' HG13 ' A' ' 51' ' ' VAL . 6.8 tt -57.2 -36.14 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.459 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 1.3 m -58.1 -33.8 69.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.48 -39.05 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.501 HD23 ' CE2' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -48.29 -37.16 15.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.416 ' O ' ' N ' ' A' ' 113' ' ' LYS . 3.5 mt -98.28 -65.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.471 ' CB ' HG23 ' A' ' 14' ' ' ILE . . . -39.72 123.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.2 -37.77 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.5 mttm -78.62 157.6 28.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.402 ' HG2' ' CD ' ' A' ' 23' ' ' LYS . 19.3 mt-10 -129.83 155.07 81.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.583 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -74.99 1.3 7.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.32 111.37 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 174.92 76.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.7 mp 45.39 60.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.33 108.14 0.35 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 34.6 m -108.35 -169.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.0 m -46.26 154.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -173.51 109.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -127.52 172.48 10.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.86 115.08 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.8 t -108.6 142.66 38.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 134.05 165.44 10.97 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 91.77 -118.73 5.55 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 50.82 87.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.92 116.09 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.8 t0 62.28 163.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.4 ' O ' ' CD1' ' A' ' 132' ' ' LEU . 1.2 mtt180 177.18 168.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.4 ' CD1' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -169.64 99.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.42 120.44 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.459 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -128.6 140.95 51.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 95.9 m -111.96 71.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.433 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.0 m -55.12 -55.65 28.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.22 176.19 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -169.95 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 72.3 p -113.58 116.11 29.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.354 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -148.75 127.55 2.55 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 81.1 p -142.01 147.13 36.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.88 145.74 37.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.566 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.3 132.11 5.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.38 52.9 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -122.37 163.67 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 40.5 t 60.53 116.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 178.39 99.81 0.13 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 160.68 39.87 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.48 -62.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 80.3 p -149.92 153.83 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p -129.95 139.78 51.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.761 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -132.49 164.9 25.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.5 -133.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -162.29 172.97 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -154.26 144.09 21.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.21 134.22 4.33 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.06 148.41 22.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 0.805 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.34 95.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.91 117.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.16 100.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.444 ' CG2' ' N ' ' A' ' 13' ' ' ASP . 15.3 t -88.23 -51.72 5.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.444 ' N ' ' CG2' ' A' ' 12' ' ' THR . 3.0 p-10 -80.07 168.16 19.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.476 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 1.9 mp -39.87 -85.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' N ' ' CG2' ' A' ' 14' ' ' ILE . . . 77.94 83.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.53 -13.36 2.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.407 ' N ' ' HB3' ' A' ' 111' ' ' ALA . 20.8 tp -51.91 -64.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 11.2 tt0 -54.46 -32.99 58.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -63.71 -50.5 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.6 t -60.86 -46.35 90.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' ALA . 19.5 t80 -51.09 -53.92 29.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -50.48 -47.49 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -49.87 -53.87 23.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 45' ' ' LEU . 47.5 m-85 -72.33 -25.68 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -71.16 -47.54 57.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 pt -87.43 12.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.408 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 38.2 t-80 -49.65 114.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.606 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.76 64.26 4.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 61.1 t0 176.92 103.71 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.39 10.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -70.2 -25.42 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.53 132.47 48.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -103.54 -0.7 29.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.457 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 86.26 37.32 9.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -113.59 -14.28 12.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -133.54 150.21 51.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ILE . 21.8 ttm -138.25 117.27 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.4 m-20 -74.28 143.33 45.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.583 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.84 -35.92 13.06 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -32.94 74.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' ASN . 48.0 m-20 -85.49 -35.74 20.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.532 ' CD1' ' HB2' ' A' ' 66' ' ' PHE . 5.6 t-105 -65.61 -60.45 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.74 -48.78 66.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.22 -48.99 79.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.575 HD12 ' CD2' ' A' ' 24' ' ' PHE . 10.9 tp -57.17 -30.61 64.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' ALA . 81.2 m -84.21 5.13 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.341 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.95 -54.6 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -32.44 70.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 92.0 m -91.01 15.75 10.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.87 51.12 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 49' ' ' CYS . 1.5 t -95.12 -28.58 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -110.56 80.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -53.72 -35.27 60.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.44 ' O ' ' CG2' ' A' ' 58' ' ' THR . . . 112.02 -33.62 5.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -74.49 -75.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.65 -41.23 96.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.421 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 3.1 t -119.49 122.37 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' ASP . 69.7 p -112.35 142.28 45.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.402 ' O ' HG11 ' A' ' 62' ' ' VAL . . . -44.21 -23.98 0.52 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.417 ' N ' ' C ' ' A' ' 58' ' ' THR . 1.1 m -72.63 -35.47 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -74.66 -50.1 18.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.413 ' CG2' HD13 ' A' ' 89' ' ' LEU . 4.6 p -60.54 -37.03 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.68 -42.14 98.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 68' ' ' LYS . 28.7 mt -71.78 -47.36 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.478 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 5.4 t -54.18 -47.46 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.6 t80 -59.51 -33.06 70.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 18.3 t -91.53 -5.55 53.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -95.1 -22.67 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.6 m -87.46 -34.28 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 1.1 pttp -91.09 -160.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.49 179.3 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.91 -11.71 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.1 -74.93 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.9 151.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -2.09 8.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.6 160.94 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 37' ' ' MET . 1.9 pt -120.52 154.73 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -107.15 159.94 15.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.7 t80 -41.75 -28.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -73.12 -48.68 33.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 78' ' ' ASN . 49.4 mt-10 -77.28 -16.67 58.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.574 ' CZ ' HD13 ' A' ' 86' ' ' LEU . 11.8 t80 -82.36 -32.81 29.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -72.07 -29.61 64.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -62.52 -55.24 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -50.32 -48.03 55.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.574 HD13 ' CZ ' ' A' ' 82' ' ' PHE . 97.5 mt -53.81 -39.8 65.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.579 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.6 mt-10 -63.32 -36.27 83.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 56.1 mm-40 -76.88 -26.36 54.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.48 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 61.1 mt -98.68 -0.61 42.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -77.56 -57.74 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.1 p -76.81 -21.77 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.374 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 88' ' ' GLU . 23.6 mtpt -82.01 -21.66 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 19.9 tpt85 -97.19 -66.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.615 ' O ' ' C ' ' A' ' 95' ' ' LYS . 72.9 m-85 -75.49 91.42 2.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.615 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 22.19 -124.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -122.41 36.35 3.19 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 96' ' ' GLY . 11.3 mttm -54.45 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 0.795 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 10.6 m -82.93 161.98 21.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -60.17 -42.07 94.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.9 mt-10 -73.94 -53.39 10.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 105' ' ' ALA . 1.2 mt-10 -58.5 -52.07 67.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -54.89 -41.58 71.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.579 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 80.1 t80 -75.19 -29.6 60.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.2 OUTLIER -79.55 -22.19 44.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.542 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -81.13 -33.3 33.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 107' ' ' CYS . 6.8 tt -78.48 -32.12 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.456 ' N ' HG23 ' A' ' 106' ' ' ILE . 84.9 m -68.81 -36.1 77.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 108.294 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -67.17 -15.34 63.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 77.4 mt -83.05 -39.04 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 111' ' ' ALA . 6.6 mt -87.02 -66.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.476 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -39.04 125.55 1.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.11 -40.04 2.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -75.17 164.72 26.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.89 156.71 35.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -74.98 -158.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.554 1.818 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 71.68 -173.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.53 73.92 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.0 -160.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 56.96 99.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 16.8 t -42.47 111.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.4 t -166.94 153.96 8.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.387 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.58 149.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.29 145.74 25.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.11 149.01 31.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 14.8 m -107.82 148.99 28.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -48.53 176.58 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -138.62 164.09 25.74 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.9 174.93 10.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 55.5 t -131.29 129.82 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -67.25 83.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -151.2 171.43 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.86 106.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.14 153.57 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 t70 176.22 146.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.5 m -147.43 82.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.04 -58.95 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.39 -63.61 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 47.66 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 18.6 m -91.92 140.35 29.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.381 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.94 131.16 10.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 14.3 m -104.37 148.6 26.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -121.48 -61.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.571 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.16 156.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.02 132.49 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.75 145.88 41.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.9 t -158.09 166.77 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -149.92 136.03 5.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.76 4.39 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.8 p -133.56 154.01 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.3 p -133.68 169.2 17.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.74 100.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.034 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -43.91 127.45 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.68 -59.33 0.42 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -55.91 143.92 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.84 171.42 20.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.81 125.0 2.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ptm -82.65 171.58 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.86 165.31 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.86 178.77 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.29 93.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -122.73 -46.58 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 179.3 4.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 111' ' ' ALA . 24.5 mm -49.33 -68.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 65.7 69.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 165.02 -28.63 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 20' ' ' SER . 45.4 tp -57.21 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 7.2 tt0 -48.19 -24.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -73.92 -34.19 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.92 -44.21 15.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' ALA . 33.1 t80 -50.04 -52.62 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.7 OUTLIER -52.0 -47.45 64.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -50.26 -48.67 54.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.589 ' CD1' HD13 ' A' ' 45' ' ' LEU . 39.9 m-85 -76.54 -26.83 55.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -71.13 -47.98 54.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pt -93.45 16.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 27' ' ' HIS . 1.8 t-80 -52.94 100.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.628 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.86 -55.24 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -60.86 111.13 3.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.94 8.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -69.28 -52.93 22.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -38.16 130.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.4 m -107.33 -5.43 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 105.78 31.08 4.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -110.46 -4.59 15.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.15 152.68 38.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ILE . 13.0 ttm -145.47 120.35 9.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 41' ' ' ASN . 2.0 m-20 -73.64 143.35 46.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.576 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -46.44 -39.63 10.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -63.25 -37.19 86.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASN . 38.7 m-20 -82.05 -6.74 59.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.487 ' CZ2' ' HB2' ' A' ' 85' ' ' ALA . 3.3 t-105 -96.47 -62.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 108.01 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.02 -44.2 67.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -61.33 -46.89 88.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.3 tp -55.28 -28.56 54.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.477 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 66.3 m -77.24 -54.04 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -36.54 74.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -30.93 64.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 66.4 m -99.79 15.51 26.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' CYS . 6.4 mmtm 43.71 47.17 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.477 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.9 t -90.69 -35.63 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.473 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . . . -102.01 66.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -40.67 -37.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.468 ' CA ' ' O ' ' A' ' 57' ' ' VAL . . . 115.08 -35.06 4.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -75.12 -76.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.473 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -67.05 -34.21 77.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.473 ' CG1' ' HA ' ' A' ' 52' ' ' ALA . 25.5 t -123.19 117.64 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 61' ' ' ASP . 61.0 p -107.37 141.33 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -43.91 -24.99 0.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.404 ' N ' ' C ' ' A' ' 58' ' ' THR . 2.8 m -76.03 -38.82 56.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.743 . . . . 0.0 110.426 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.1 m-20 -67.8 -46.65 71.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.5 p -64.31 -44.82 97.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -52.98 60.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.9 mt -58.71 -47.17 89.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.528 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 5.0 t -53.64 -47.02 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.576 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 13.4 t80 -59.62 -33.51 71.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.94 -3.96 56.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -19.6 19.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -95.96 -21.13 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 71' ' ' ALA . 0.3 OUTLIER -104.32 -173.92 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' O ' ' CE ' ' A' ' 70' ' ' LYS . . . -108.18 -166.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -16.44 28.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.08 -60.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.29 149.16 5.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.75 7.96 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.39 155.47 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' MET . 1.4 pt -116.61 153.66 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 81' ' ' GLU . 8.6 m-20 -103.92 158.29 16.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.446 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 19.7 t80 -39.98 -37.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.67 -48.6 74.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' ASN . 95.7 mt-10 -74.81 -14.01 60.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' A' ' 86' ' ' LEU . 39.4 t80 -82.11 -37.57 26.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -68.48 -30.29 69.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -60.34 -58.05 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -49.5 -47.36 48.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' A' ' 82' ' ' PHE . 82.9 mt -53.24 -40.07 64.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.577 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.9 mt-10 -64.62 -37.18 86.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -76.71 -27.44 55.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 48.1 mt -98.16 -0.2 44.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.75 -57.3 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.8 p -74.33 -21.66 59.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.473 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 8.6 mtpt -84.22 -22.95 30.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 21.0 tpt85 -89.1 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.582 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 90.0 m-85 -80.33 -175.0 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -156.87 161.31 39.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.87 17.83 3.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -99.89 -127.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -164.61 176.1 9.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -59.22 -48.25 82.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 104' ' ' ASP . 21.8 mt-10 -77.37 -44.79 28.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.12 -52.84 63.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -59.99 -28.66 67.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.577 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 82.1 t80 -82.85 -35.99 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.2 OUTLIER -77.33 -27.39 52.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.582 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . . . -75.47 -35.34 60.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 107' ' ' CYS . 5.8 tt -73.05 -28.02 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.454 ' N ' HG22 ' A' ' 106' ' ' ILE . 35.2 m -73.69 -28.0 61.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 108.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.04 -8.23 53.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 19.6 mt -93.8 -16.73 23.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLY . 4.7 mt -113.76 -59.77 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.47 ' HB2' ' CG2' ' A' ' 14' ' ' ILE . . . -44.83 96.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 124.25 -42.31 1.58 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -69.66 157.57 37.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -134.98 155.0 79.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.543 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.5 Cg_endo -74.94 1.03 8.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.04 178.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -106.35 -47.23 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 10.7 mm -85.06 52.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -144.38 88.33 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.3 p -145.18 152.84 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.7 m -130.65 123.25 28.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.1 tttm 59.55 79.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -110.5 143.14 41.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 149.34 50.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.4 m -140.76 93.99 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -176.31 -176.96 44.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.51 142.18 17.42 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -137.91 173.68 11.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.4 p -97.75 118.23 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -126.57 141.86 51.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 177.96 166.55 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -169.46 169.59 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.3 t -98.69 134.01 42.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.12 135.35 37.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.9 m -130.45 94.51 3.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.9 p -103.04 118.6 37.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.72 101.13 5.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -79.24 130.87 35.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 20.1 m -106.51 138.41 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -147.21 116.25 0.83 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.38 129.23 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 110.045 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -122.5 -63.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.63 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 37.3 tttt 65.8 137.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.51 162.44 27.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -134.66 136.69 43.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 36.4 p -178.66 148.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -176.91 140.21 4.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.86 21.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.93 157.94 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.1 t -119.58 133.34 55.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.985 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -73.72 157.14 37.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 p -138.45 171.47 14.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.45 -170.88 33.69 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.09 96.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.83 103.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.055 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.6 -156.81 7.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.31 147.34 28.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.76 82.75 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 178.39 147.09 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.579 ' O ' ' CB ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -172.41 89.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.579 ' CB ' ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER 87.8 -29.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' N ' HG21 ' A' ' 12' ' ' THR . 1.2 p30 -108.61 145.56 34.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.411 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 27.7 mm -42.48 -80.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 70.63 77.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.45 -20.75 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' SER . 60.4 tp -59.27 -77.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 4.5 tt0 -47.39 -27.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -71.17 -36.03 71.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' LEU . 1.1 p -80.7 -46.78 15.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 25' ' ' ALA . 32.3 t80 -49.61 -52.81 27.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -44.39 37.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -57.46 -44.98 85.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.572 ' CD2' HD11 ' A' ' 45' ' ' LEU . 37.3 m-85 -77.04 -22.85 52.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -78.92 -47.17 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 pt -90.66 22.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 115' ' ' PRO . 2.9 t-160 -77.49 107.24 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.617 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.51 -60.66 0.35 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.12 114.56 49.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.06 13.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' ALA . 3.5 mttm -69.35 -40.13 77.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -39.26 138.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -106.05 -5.92 19.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.21 28.57 9.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -115.98 -3.58 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' CG ' HG21 ' A' ' 76' ' ' VAL . 40.9 mp0 -140.3 144.94 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.424 ' HE2' ' CD1' ' A' ' 21' ' ' PHE . 32.1 ttm -136.62 116.12 12.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.91 143.9 45.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.584 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -50.47 -36.59 31.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -27.75 68.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -91.69 -38.87 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.569 ' CH2' ' HB2' ' A' ' 85' ' ' ALA . 4.7 t-105 -62.78 -69.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.36 -55.02 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -56.28 -40.99 75.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.572 HD11 ' CD2' ' A' ' 24' ' ' PHE . 10.4 tp -63.12 -26.95 69.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.472 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 70.8 m -79.75 -11.33 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.19 -49.64 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -33.35 64.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.452 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 53.6 m -94.15 16.25 15.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 108.257 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mptt 45.72 40.69 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.1 t -79.47 -38.84 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -96.81 -174.85 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -170.84 -42.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.6 -21.47 6.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -83.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -62.04 -40.21 94.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.89 121.42 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' ASP . 70.6 p -103.4 140.08 37.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.24 -21.37 2.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 m -78.53 -29.28 46.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -73.84 -46.06 47.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.425 HG23 ' CZ2' ' A' ' 42' ' ' TRP . 4.4 p -61.05 -36.59 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.42 ' N ' HG11 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -66.95 -39.15 87.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.42 HG21 ' CD ' ' A' ' 68' ' ' LYS . 44.3 mt -71.75 -50.49 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.483 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.6 t -54.0 -49.1 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 33.2 t80 -54.86 -27.8 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.45 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 1.4 t -89.61 -23.81 21.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.42 ' CD ' HG21 ' A' ' 64' ' ' ILE . 12.0 mtpt -75.93 -39.45 56.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 70' ' ' LYS . 14.7 m -71.1 -49.84 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.4 pttp -74.18 176.52 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -106.75 169.71 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -10.71 53.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.4 t -98.85 -65.18 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.05 148.46 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -29.43 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.439 HG21 ' CG ' ' A' ' 36' ' ' GLU . 21.2 m -106.3 178.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.8 pt -130.78 141.32 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -91.98 158.34 16.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 13.2 t80 -38.97 -62.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -49.64 -34.16 17.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' ASN . 50.1 mt-10 -82.66 -21.9 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.559 ' CE1' HD22 ' A' ' 45' ' ' LEU . 6.6 t80 -81.07 -25.7 36.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.515 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 4.3 mtmt -74.22 -33.14 63.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -56.57 -48.29 77.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.569 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . . . -56.1 -47.99 77.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 103' ' ' PHE . 88.7 mt -55.29 -36.31 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' OE2' ' CE ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.23 -31.15 69.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -84.44 -29.01 26.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.505 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 50.5 mt -99.11 1.46 45.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 86' ' ' LEU . . . -74.73 -55.93 5.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.5 p -77.04 -20.16 56.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.428 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 8.8 mtpt -86.21 -15.97 39.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 35.3 tpt85 -97.65 -66.72 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 105' ' ' ALA . 67.2 m-85 -78.38 93.0 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' A' ' 94' ' ' PHE . 8.4 mtmm 29.53 -125.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -124.34 35.08 3.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.145 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 96' ' ' GLY . 14.5 mttt -54.72 -169.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -175.76 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' CE ' ' OE2' ' A' ' 87' ' ' GLU . 5.6 tttm -78.89 -49.1 13.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.41 -45.27 26.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.66 -51.25 67.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.08 -55.85 29.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 86' ' ' LEU . 0.6 OUTLIER -54.8 -43.59 73.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -21.8 63.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.574 ' HB2' ' CE1' ' A' ' 94' ' ' PHE . . . -84.94 -30.53 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.458 HD11 ' CG1' ' A' ' 51' ' ' VAL . 1.8 tt -79.51 -27.38 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 24.7 m -72.49 -23.42 61.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.37 -15.19 53.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.493 HD13 ' CE2' ' A' ' 94' ' ' PHE . 65.9 mt -83.99 -29.21 27.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 112' ' ' GLY . 4.9 mt -100.38 -61.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -43.59 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 122.51 -44.74 1.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -65.29 172.39 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -146.62 157.35 48.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo -74.96 1.51 7.63 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.61 -171.76 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 40.33 77.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.7 mp -94.96 84.34 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -141.89 74.14 0.35 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 31.4 m -104.63 -169.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.7 m -144.48 142.1 30.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 51.84 94.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -106.23 115.91 31.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.71 113.39 24.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.7 m -122.53 122.07 38.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -133.61 -149.2 6.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.21 79.14 1.45 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 60.23 160.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.757 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 78.4 t -103.11 71.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 55.06 95.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.93 161.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.23 -89.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.8 t -172.96 125.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.78 168.42 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 54.1 m 57.74 93.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.8 t -175.59 92.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -155.77 71.42 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -128.78 79.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.6 -61.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 135.65 -168.49 23.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 26.7 p -175.48 85.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -142.21 137.06 30.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.55 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.0 163.69 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -101.02 160.09 14.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 146' ' ' SER . 34.9 ttt180 -154.6 145.71 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.404 ' N ' ' HG2' ' A' ' 145' ' ' ARG . 87.3 p -121.87 164.18 17.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.79 100.6 1.76 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.427 1.079 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -68.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.27 147.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.05 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 30.3 t -158.88 139.98 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 110.972 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -166.68 169.48 13.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 0.776 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t 66.6 140.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.64 -84.77 0.52 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.81 168.64 19.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -95.41 165.55 12.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.9 -146.08 16.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 mtm -155.32 167.99 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.18 172.92 10.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.35 169.59 16.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.0 p -162.92 110.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 t -104.7 -44.59 4.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' ILE . 9.0 p-10 -80.18 167.98 19.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.475 HG23 ' CB ' ' A' ' 111' ' ' ALA . 1.8 mp -39.14 -88.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.466 ' N ' ' CG2' ' A' ' 14' ' ' ILE . . . 80.34 84.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.83 -9.86 3.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' N ' ' HB2' ' A' ' 111' ' ' ALA . 28.9 tp -46.84 -68.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.512 ' CG ' ' CE1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -54.44 -31.44 55.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -54.31 48.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.2 p -61.39 -46.69 89.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -49.86 -53.18 27.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -44.92 62.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -55.17 -51.24 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CD2' ' HB3' ' A' ' 115' ' ' PRO . 28.4 m-85 -69.14 -31.74 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.06 -47.58 84.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 10.6 pt -89.44 12.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 20.2 t-80 -39.69 109.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.55 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.82 59.61 10.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.464 ' HB3' ' CB ' ' A' ' 32' ' ' ALA . 2.9 m-20 -161.94 102.94 1.15 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.87 15.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -84.82 -42.56 15.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 29' ' ' ASP . . . -42.75 126.77 3.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -77.79 -29.2 50.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.6 30.07 7.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -113.23 -4.96 13.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -133.91 150.48 51.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.4 ttm -133.25 115.71 15.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.5 m-20 -74.2 143.6 45.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.648 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.86 -22.41 2.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -76.32 -34.76 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ASN . 98.2 m-20 -87.11 -25.67 24.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 85' ' ' ALA . 5.2 t-105 -71.64 -63.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.023 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.04 -43.98 67.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.04 87.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 24' ' ' PHE . 16.1 tp -63.23 -28.77 70.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.561 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 24.2 m -92.62 30.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 108.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -142.32 -54.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -33.62 76.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.0 m -79.67 -1.37 37.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.92 40.49 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.7 t -90.49 -40.19 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -103.32 97.89 7.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.25 -32.99 65.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.79 -24.37 12.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.76 -80.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.67 -36.61 72.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 t -127.65 119.0 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.476 ' O ' ' N ' ' A' ' 61' ' ' ASP . 77.2 p -106.1 141.34 37.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' O ' HG11 ' A' ' 62' ' ' VAL . . . -47.77 -21.89 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 1.0 OUTLIER -75.13 -28.91 60.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.38 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -79.2 -50.06 11.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.446 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -58.38 -33.56 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' N ' HG11 ' A' ' 62' ' ' VAL . 31.8 t0 -68.15 -48.96 63.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.413 ' CD1' ' O ' ' A' ' 60' ' ' THR . 16.8 mt -63.2 -46.57 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.9 t -56.34 -49.88 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.648 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 5.3 t80 -57.27 -29.13 63.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.423 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -87.93 -23.76 23.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -29.43 32.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 12.1 m -82.31 -33.75 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -87.96 167.97 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 72' ' ' LYS . . . -103.17 141.11 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 71' ' ' ALA . 21.9 tttm -39.84 -37.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -70.93 -58.49 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.72 145.76 55.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -23.3 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 m -108.34 174.23 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 2.8 pt -125.02 150.9 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.491 ' OD1' ' CG ' ' A' ' 81' ' ' GLU . 8.4 p30 -105.13 159.34 15.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' CE1' ' CG ' ' A' ' 18' ' ' GLU . 16.7 t80 -38.35 -54.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -48.79 -41.94 34.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.491 ' CG ' ' OD1' ' A' ' 78' ' ' ASN . 67.6 mt-10 -74.63 -37.28 62.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.582 ' CE2' HD12 ' A' ' 86' ' ' LEU . 68.9 t80 -57.37 -33.09 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 3.1 mtmt -77.7 -26.37 50.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -42.24 77.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.576 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . . . -71.8 -41.16 68.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.582 HD12 ' CE2' ' A' ' 82' ' ' PHE . 16.0 mt -57.64 -43.19 84.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.545 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.7 mt-10 -60.65 -46.02 91.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -64.62 -28.59 69.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 62.6 mt -99.52 2.52 44.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.46 -57.48 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.8 p -77.9 -30.31 50.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 mtpt -70.57 -29.55 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 41.3 tpt85 -87.71 -62.34 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.583 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 52.5 m-85 -78.88 89.19 4.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.528 ' C ' ' O ' ' A' ' 94' ' ' PHE . 1.8 pttt 28.75 -99.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -150.31 37.32 0.92 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.497 ' CG ' ' HE3' ' A' ' 95' ' ' LYS . 13.7 mttt -54.6 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.0 m -82.8 164.43 20.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -58.99 -43.38 91.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.19 -53.01 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.27 -52.66 63.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -53.98 -49.17 69.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.545 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 56.9 t80 -65.32 -38.53 90.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -21.31 63.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.583 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . . . -85.44 -34.49 21.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 107' ' ' CYS . 3.2 tt -80.38 -32.5 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.467 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 89.4 m -69.82 -31.91 70.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -73.98 -19.05 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.442 HD11 ' CE2' ' A' ' 94' ' ' PHE . 65.3 mt -75.58 -44.49 42.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 111' ' ' ALA . 5.3 mt -83.11 -68.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.475 ' CB ' HG23 ' A' ' 14' ' ' ILE . . . -39.94 117.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.12 -37.81 3.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -75.01 175.2 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -141.25 154.6 67.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.05 1.54 7.65 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -42.05 162.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.98 -51.97 67.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.6 -160.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 163.95 140.69 2.93 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.29 101.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 0.796 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.9 t -171.64 147.84 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.68 108.5 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -171.89 148.63 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.73 -69.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.6 m 44.27 83.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -137.67 162.07 25.46 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 124.74 82.77 0.53 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -175.22 171.9 2.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 60.5 t 58.65 83.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.47 160.04 33.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.29 162.61 38.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.34 160.42 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 22.1 m -121.61 138.69 54.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.8 169.84 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.1 m -155.14 75.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -50.49 -57.19 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.04 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.44 131.0 48.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.19 -50.58 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 10.2 p -133.77 -57.36 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 112.44 -138.36 14.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.91 150.39 28.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -91.76 105.16 17.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.629 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.18 142.98 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -161.56 141.84 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.19 96.16 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.9 p -117.22 165.87 12.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -141.74 -150.67 5.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.01 12.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.576 1.829 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.0 m -115.57 -59.74 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.4 m 64.03 150.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.44 154.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.98 -58.57 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.27 -90.84 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.573 1.17 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -161.63 164.81 29.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.96 -58.46 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.964 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.45 -120.22 0.94 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.74 151.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.0 118.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.1 161.51 28.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.96 100.51 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -66.39 -78.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -148.69 -50.72 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.538 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 21.5 mm -81.51 -70.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 73.13 71.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.02 -26.26 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.01 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 21.3 tt0 -47.2 -24.58 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -69.61 -48.15 61.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -38.13 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' ALA . 32.1 t80 -51.5 -57.14 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.28 -45.81 54.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -49.62 -50.59 42.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 40.9 m-85 -77.69 -24.48 49.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -73.12 -38.52 66.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' CB ' ' HB1' ' A' ' 32' ' ' ALA . 3.7 pt -83.88 8.64 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -75.71 121.56 22.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.662 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.04 -64.42 0.85 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.21 140.53 2.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -46.4 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 32' ' ' ALA . 5.0 mttt -93.92 -41.01 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.509 ' HB1' ' CB ' ' A' ' 26' ' ' ILE . . . 58.53 145.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.5 -13.05 8.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.36 21.77 74.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -129.74 6.1 5.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -137.17 141.79 42.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.428 ' HE2' ' CB ' ' A' ' 24' ' ' PHE . 35.7 ttm -137.26 116.25 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -73.86 144.41 45.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -47.66 -37.66 14.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -30.68 71.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ASN . 83.2 m-20 -89.8 -36.93 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.54 ' CH2' ' HB2' ' A' ' 85' ' ' ALA . 4.7 t-105 -62.47 -48.87 77.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' SG ' ' A' ' 46' ' ' CYS . . . -66.68 -54.83 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -28.67 16.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 12.6 tp -78.33 -27.32 47.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -80.57 -10.83 59.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 108.279 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -104.86 -44.45 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -36.98 82.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' CB ' ' A' ' 113' ' ' LYS . 50.5 m -87.29 -12.23 47.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 0.6 OUTLIER 72.08 41.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.6 t -84.2 -41.6 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . . . -94.21 66.6 3.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 3.5 p-10 -40.61 -31.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.417 ' N ' ' C ' ' A' ' 52' ' ' ALA . . . 106.17 -20.98 34.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -84.11 -83.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -66.15 -26.71 67.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.451 ' CG1' ' HA ' ' A' ' 52' ' ' ALA . 7.1 t -128.01 119.67 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 61' ' ' ASP . 25.2 p -108.25 142.0 39.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.408 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -48.12 -21.53 1.82 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.413 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 0.9 OUTLIER -74.88 -27.27 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -79.58 -49.83 11.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.482 HG23 ' CZ2' ' A' ' 42' ' ' TRP . 3.8 p -56.82 -36.39 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -39.51 82.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.459 ' CG2' ' HD2' ' A' ' 68' ' ' LYS . 41.6 mt -70.87 -50.87 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.45 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.4 t -56.11 -48.35 79.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 32.5 t80 -54.4 -27.24 35.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.469 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -86.98 -22.97 25.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.459 ' HD2' ' CG2' ' A' ' 64' ' ' ILE . 0.3 OUTLIER -80.13 -39.72 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.6 m -68.6 -28.09 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 26.5 pttt -102.84 179.43 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -107.32 -175.51 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -81.9 -4.61 56.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.58 -76.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.08 148.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.41 -7.98 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.63 170.66 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.9 pt -124.21 152.66 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -102.85 158.18 16.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 14.1 t80 -38.44 -38.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.41 -48.89 71.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' ASN . 96.0 mt-10 -72.71 -17.04 61.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.479 ' CZ ' HD21 ' A' ' 45' ' ' LEU . 32.6 t80 -80.76 -37.7 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -73.35 -26.91 61.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -62.47 -48.38 79.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.54 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . . . -60.09 -44.35 94.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 90' ' ' ALA . 60.9 mt -55.39 -34.2 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.575 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.2 mt-10 -69.63 -41.94 74.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -73.48 -27.68 61.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.513 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 57.8 mt -97.62 -4.59 37.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -72.67 -55.91 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.3 p -73.73 -20.96 60.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.499 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 18.6 mtpt -86.32 -25.05 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 10.1 tpt180 -83.18 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 105' ' ' ALA . 69.0 m-85 -76.56 178.67 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.446 ' HE2' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -60.99 -137.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.72 27.87 17.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.446 ' HG3' ' HE2' ' A' ' 95' ' ' LYS . 10.5 mttm -51.23 179.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.1 m -80.06 155.34 27.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -50.7 -43.14 57.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.25 -50.78 15.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.34 -52.0 64.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.95 -46.18 82.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 82.9 t80 -63.05 -40.87 98.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -23.66 62.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 94' ' ' PHE . . . -78.37 -40.42 36.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.47 HD12 ' CG1' ' A' ' 51' ' ' VAL . 8.9 tt -74.85 -28.39 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.465 ' N ' HG21 ' A' ' 106' ' ' ILE . 3.3 m -69.57 -29.21 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.81 -11.8 59.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.455 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 72.7 mt -85.32 -19.24 31.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.6 mt -112.24 -49.06 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.538 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -47.57 96.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 122.07 -36.52 3.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.48 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -58.48 168.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.59 144.67 10.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.64 170.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -65.84 -60.77 2.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.2 mm -81.06 78.68 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.94 60.77 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 33.1 m -98.86 111.89 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.5 t -101.71 155.04 18.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.382 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -90.49 153.25 20.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.34 176.83 7.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -168.12 133.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.9 m 63.55 146.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -88.33 -115.27 1.25 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.23 -157.91 28.9 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -117.64 171.32 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 9.5 p -100.09 110.38 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -144.82 142.26 29.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 1.3 mtt180 -174.18 169.4 3.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.251 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 132' ' ' LEU . 0.0 OUTLIER 170.87 109.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 7.0 t -146.97 157.64 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -178.54 103.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.0 m -142.02 101.76 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 93.9 p -97.51 87.32 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -45.86 168.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -110.96 169.49 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.0 t -115.77 147.52 40.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -72.21 157.06 52.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.7 t -152.9 158.05 41.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.961 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -83.4 152.87 24.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.585 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.45 168.24 11.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -100.85 112.54 24.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -97.81 166.98 11.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 53.3 p -174.77 133.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.033 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -158.11 153.68 24.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -56.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.777 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.2 m 68.53 110.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.6 m -108.1 171.93 7.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.74 153.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.25 136.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.17 127.82 5.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t 179.97 -58.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -46.79 150.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.41 -152.52 6.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mtt -89.02 149.61 23.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 0.791 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.59 153.74 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.2 176.21 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.7 p -101.66 65.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -94.47 -54.8 3.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -110.09 172.51 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.448 HG21 ' CB ' ' A' ' 111' ' ' ALA . 1.1 mm -103.58 -157.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -179.03 77.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.39 -15.0 2.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.9 tp -49.61 -74.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.08 -36.31 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -59.98 -45.8 91.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.412 ' HB2' ' CG2' ' A' ' 110' ' ' ILE . 16.0 m -65.6 -50.26 65.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' ALA . 24.2 t80 -50.15 -52.62 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -44.89 46.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -56.34 -55.18 36.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 40.1 m-85 -66.36 -27.27 67.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -74.06 -47.53 36.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.459 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . 2.4 pt -89.7 9.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -42.17 114.0 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.11 -62.06 3.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -48.36 108.92 1.01 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -27.37 10.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -77.78 -39.52 43.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' CB ' ' HA ' ' A' ' 26' ' ' ILE . . . -40.15 130.66 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.5 m -94.78 -18.11 21.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.42 23.61 12.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -100.57 -9.66 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -138.6 147.55 43.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 24' ' ' PHE . 6.9 ttm -135.66 124.02 23.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 2.8 p30 -79.33 143.47 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.615 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -52.66 -19.51 6.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -73.64 -36.58 65.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 26.6 m-20 -87.54 -38.28 16.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.56 ' CZ2' HG21 ' A' ' 62' ' ' VAL . 5.6 t-105 -56.67 -61.05 2.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.59 -51.82 52.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -55.8 -40.27 72.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.581 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 12.3 tp -65.75 -27.65 68.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 52' ' ' ALA . 56.2 m -88.43 11.25 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' CE ' ' CB ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -125.0 -44.04 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -29.49 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 66.7 m -90.98 16.08 10.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.19 43.65 22.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -88.09 -40.35 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.504 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -107.17 91.27 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.43 -36.58 84.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.427 ' CA ' ' O ' ' A' ' 57' ' ' VAL . . . 117.75 -34.58 4.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -80.77 -79.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 0.722 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.17 -40.28 67.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 58' ' ' THR . 7.2 t -127.24 141.79 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.501 ' O ' ' N ' ' A' ' 61' ' ' ASP . 22.4 p -120.21 143.52 48.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.409 ' O ' HG11 ' A' ' 62' ' ' VAL . . . -44.41 -23.83 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 58' ' ' THR . 19.5 m -73.49 -24.72 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 62' ' ' VAL . 0.5 OUTLIER -74.4 -39.51 62.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG21 ' CZ2' ' A' ' 42' ' ' TRP . 4.9 p -73.19 -32.39 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' N ' HG12 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -68.64 -47.77 65.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.2 mt -61.73 -52.3 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.487 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 6.6 t -55.61 -46.0 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.615 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 35.7 t80 -60.41 -28.7 68.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.444 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -95.85 -2.25 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.68 -29.0 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.5 m -83.05 -45.4 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.0 pttt -72.1 -167.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -128.08 155.4 44.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -21.41 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 t -88.12 -61.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 147.53 39.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -114.59 -26.74 7.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 m -104.39 162.59 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.417 HG22 ' CE2' ' A' ' 66' ' ' PHE . 15.6 pt -115.76 156.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -112.02 156.68 21.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -37.9 -47.27 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -55.04 -48.91 72.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' ASN . 44.7 mm-40 -73.33 -43.55 60.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 20.1 t80 -54.02 -49.17 69.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -64.23 -26.97 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -45.84 79.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -60.48 -46.95 88.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.552 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 79.2 mt -54.2 -39.15 66.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.596 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 9.1 mm-40 -63.64 -36.8 85.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -74.04 -29.72 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.501 ' CD2' ' OD2' ' A' ' 61' ' ' ASP . 15.8 mt -94.9 -5.98 43.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -61.99 -54.55 40.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 95' ' ' LYS . 11.6 p -76.24 -46.17 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -56.19 -20.53 18.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 31.3 tpt85 -98.82 -53.33 3.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.587 ' O ' ' C ' ' A' ' 95' ' ' LYS . 79.0 m-85 -94.01 96.02 9.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.587 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 24.95 -118.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -132.12 34.32 2.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.435 1.084 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 96' ' ' GLY . 23.8 mttt -53.56 -172.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.6 p -83.78 163.92 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 10.5 tttt -57.42 -41.62 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.64 -52.25 10.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.17 -51.71 65.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.39 -57.01 14.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.596 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 71.4 t80 -55.31 -40.76 71.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.73 -27.83 69.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.582 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -80.31 -57.22 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.424 HG21 ' N ' ' A' ' 107' ' ' CYS . 6.0 tt -55.16 -37.8 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.424 ' N ' HG21 ' A' ' 106' ' ' ILE . 37.0 m -65.38 -39.92 92.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -62.75 -25.58 68.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 64.4 mt -72.16 -34.45 68.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 113' ' ' LYS . 9.0 mt -88.87 -65.72 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.448 ' CB ' HG21 ' A' ' 14' ' ' ILE . . . -39.73 117.34 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.59 -42.22 1.96 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.4 mttm -71.28 150.13 45.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -125.12 158.52 63.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.576 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.0 1.53 7.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.69 -171.74 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 166.53 126.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.481 ' CD1' ' O ' ' A' ' 118' ' ' ILE . 2.1 pp -82.87 87.05 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -166.11 -84.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 42.3 t -130.95 43.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 t -89.02 18.39 4.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 mttt 67.15 101.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.89 80.91 5.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.14 -69.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.5 t -91.93 139.98 30.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 159.28 105.57 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 126.75 111.34 1.72 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -178.71 133.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.351 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.27 123.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.43 94.04 2.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.423 ' O ' ' HB3' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -178.2 -69.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.423 ' HB3' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER 70.67 -65.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 131' ' ' ARG . 4.0 m 41.2 65.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.47 143.59 28.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 97.3 m -135.37 67.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.1 m -52.02 106.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 176.99 9.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -82.1 -51.36 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.3 m 52.16 93.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -119.11 158.47 14.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.87 164.21 18.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.31 126.97 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.88 153.84 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.26 145.94 29.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.77 163.67 12.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 39.5 p -103.69 169.24 8.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.036 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -131.01 173.06 20.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.24 16.74 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.451 1.764 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 69.0 p -114.76 158.68 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.64 168.35 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.91 -58.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.09 137.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.11 -133.31 1.34 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p 48.05 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.91 170.26 16.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.6 139.58 2.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.1 mtt -139.39 157.19 46.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -131.21 95.96 3.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.76 175.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' THR . 7.9 t 64.95 87.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' SER . 8.5 t -38.6 -37.59 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.82 151.71 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.472 ' CG2' ' HB1' ' A' ' 111' ' ' ALA . 46.5 mm -58.66 -70.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 65.0 75.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.36 -23.94 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 56.9 tp -58.32 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 109.345 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.567 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 15.6 tt0 -47.34 -30.31 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 110.296 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -68.35 -46.56 69.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -68.98 -43.7 74.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' ALA . 24.3 t80 -50.06 -54.33 21.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -52.71 -44.3 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 28.0 mttt -52.09 -56.2 15.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.598 ' CD1' HD13 ' A' ' 45' ' ' LEU . 41.4 m-85 -70.47 -27.23 64.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -68.34 -47.45 67.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 pt -89.64 16.35 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.21 107.42 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.617 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.02 61.12 5.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.159 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -170.96 108.11 0.41 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.03 15.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -84.84 -46.38 11.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.01 132.98 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.65 -20.14 17.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.407 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 103.61 28.81 5.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -102.91 -10.43 19.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.26 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -136.73 148.54 47.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.436 ' HE3' ' CD2' ' A' ' 45' ' ' LEU . 23.9 ttm -136.69 121.33 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.51 143.93 46.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.583 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -48.99 -35.62 18.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -62.9 -34.41 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.356 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.49 -35.99 22.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.413 ' NE1' ' CG2' ' A' ' 62' ' ' VAL . 7.5 t-105 -62.64 -60.22 3.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 108.025 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.74 70.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -55.19 -52.87 61.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.598 HD13 ' CD1' ' A' ' 24' ' ' PHE . 7.1 tp -47.75 -42.4 25.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.5 m -62.5 -60.35 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 108.265 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 50' ' ' LYS . 39.1 tttt -46.06 -59.8 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -33.46 60.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.454 ' CB ' HG22 ' A' ' 51' ' ' VAL . 41.0 m -90.19 16.01 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.283 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 mptp? 41.07 41.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.454 HG22 ' CB ' ' A' ' 49' ' ' CYS . 3.5 t -88.89 -39.37 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.82 87.94 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' OD2' ' NE ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -73.88 -27.54 61.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.475 ' O ' ' CG2' ' A' ' 58' ' ' THR . . . 111.64 -36.01 4.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.533 1.145 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -76.64 -78.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.08 -35.36 78.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' GLY . 11.3 t -131.38 119.37 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 54' ' ' GLY . 52.3 p -103.27 140.95 36.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -47.91 -22.16 1.92 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -77.62 -32.61 53.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.794 . . . . 0.0 110.389 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -73.27 -46.98 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.413 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -60.76 -37.26 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -64.78 -48.19 75.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.8 mt -61.51 -50.85 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.506 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 4.2 t -54.85 -49.22 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 13.6 t80 -55.87 -30.9 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.468 ' HA ' ' CE ' ' A' ' 70' ' ' LYS . 3.0 t -89.18 -10.22 47.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.89 -21.78 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.5 m -88.34 -33.44 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 67' ' ' SER . 9.7 pttt -82.05 -176.65 6.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.64 -154.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -76.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.97 -72.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 47.43 -137.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 168.24 -29.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.69 164.35 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.415 HG22 ' CE2' ' A' ' 66' ' ' PHE . 2.2 pt -127.4 155.85 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.4 159.24 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.567 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.4 t80 -44.42 -48.26 9.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -54.44 -48.74 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.14 -37.92 72.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CZ ' HD12 ' A' ' 86' ' ' LEU . 16.8 t80 -56.45 -51.08 69.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -64.56 -26.37 68.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -41.43 97.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.506 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -67.75 -42.8 81.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.508 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 32.7 mt -55.1 -45.25 75.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.573 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 2.4 mm-40 -57.49 -41.34 80.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 58.4 mm-40 -70.61 -32.54 69.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 62.8 mt -91.38 -0.09 57.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -77.06 -52.39 9.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 p -76.97 -23.74 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.464 ' CD ' ' O ' ' A' ' 88' ' ' GLU . 8.7 mtpp -82.25 -28.91 31.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 5.8 tpt180 -83.43 -65.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.578 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.0 m-85 -75.97 176.88 7.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.12 -148.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -86.06 20.93 18.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 96' ' ' GLY . 20.4 mttt -46.41 172.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.429 ' OG ' ' HB2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -78.89 155.52 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -48.54 -46.9 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.54 -50.31 46.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.429 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 8.2 mm-40 -55.79 -51.57 66.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -52.31 66.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.573 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 67.9 t80 -55.66 -42.59 75.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -22.63 62.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.578 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -81.48 -40.45 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 107' ' ' CYS . 8.3 tt -76.31 -30.53 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.455 ' N ' HG23 ' A' ' 106' ' ' ILE . 3.1 m -69.48 -34.23 74.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.13 . . . . 0.0 108.337 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.77 -19.77 65.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 106' ' ' ILE . 13.1 mt -77.92 -40.13 40.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' ALA . 4.9 mt -88.89 -66.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.472 ' HB1' ' CG2' ' A' ' 14' ' ' ILE . . . -39.32 109.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.99 -40.87 2.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.6 OUTLIER -69.89 169.72 12.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 1.4 pm0 -151.56 149.65 24.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 23' ' ' LYS . 18.3 Cg_endo -75.01 1.22 7.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 117' ' ' ASN . . . 176.94 159.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 116' ' ' ALA . 7.4 t-20 81.38 54.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 118' ' ' ILE . 5.2 mp -100.08 98.02 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.06 -82.15 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.5 p -139.44 144.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.3 t -133.82 115.75 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 110.433 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -96.03 152.1 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -166.48 123.12 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.25 62.38 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 125' ' ' THR . 14.8 t -157.94 105.5 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -152.96 -154.88 6.88 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 139.8 174.16 13.58 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.14 125.34 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.6 p -131.81 132.99 61.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -105.18 168.49 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 170.41 175.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.2 tp 175.0 -60.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 2.4 m 55.24 105.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.79 167.34 9.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.3 m 59.55 107.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 95.6 p -163.98 105.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -43.21 149.78 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -96.06 167.48 11.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.1 t -70.99 139.64 50.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 156.39 79.36 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.58 161.87 41.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.957 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -166.19 135.86 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.595 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.58 111.74 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -84.72 62.08 7.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -94.38 145.76 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 79.3 p -149.63 146.17 27.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -147.07 71.73 0.32 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 93.0 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.2 t -80.87 97.48 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.3 p -51.12 148.52 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.145 . . . . 0.0 111.012 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m 55.87 98.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.015 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -90.66 160.76 15.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.69 149.02 18.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' SER . 81.1 p -77.72 175.4 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.5 m 166.65 121.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.33 35.6 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 19.5 mtm -95.47 149.82 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 177.09 122.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.8 178.08 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.72 58.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 13' ' ' ASP . 1.0 OUTLIER -136.46 -70.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' N ' HG21 ' A' ' 12' ' ' THR . 2.6 t70 176.22 177.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.458 ' CG2' ' HB1' ' A' ' 111' ' ' ALA . 18.7 mm -88.68 -76.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 67.87 68.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 166.78 -29.8 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 20' ' ' SER . 15.4 tp -52.48 -73.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.793 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 29.7 tt0 -47.6 -25.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -76.52 -36.94 57.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.4 OUTLIER -77.17 -43.38 34.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -49.92 -53.59 25.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -45.72 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 25.1 mttt -54.23 -55.94 23.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.579 ' CD1' ' HB3' ' A' ' 115' ' ' PRO . 44.1 m-85 -66.4 -24.56 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.86 -47.38 25.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' HIS . 4.0 pt -90.42 9.85 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ILE . 6.7 t-80 -39.16 102.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.573 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.81 -58.76 4.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -48.67 105.82 0.54 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.359 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.6 15.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' ALA . 10.0 tttt -85.57 -43.53 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -40.13 131.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.2 m -95.43 -6.82 39.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.13 33.97 8.49 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.122 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -107.77 -4.54 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.42 146.52 38.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.5 ttm -137.56 116.27 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -73.22 143.57 47.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.649 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.37 -28.78 6.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -42.12 67.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -79.9 -17.19 53.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.559 ' CZ2' ' HB1' ' A' ' 85' ' ' ALA . 2.6 t-105 -80.62 -53.88 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.059 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.71 68.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -54.35 -37.83 65.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.563 HD11 ' CD2' ' A' ' 24' ' ' PHE . 10.5 tp -68.46 -26.59 65.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.512 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 57.2 m -94.61 24.08 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -132.38 -62.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.01 -40.05 75.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.534 ' SG ' ' CZ ' ' A' ' 24' ' ' PHE . 64.9 m -70.62 -6.81 39.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.358 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 69.94 43.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.435 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.1 t -91.68 -41.12 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -96.88 178.09 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -159.37 -44.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.21 -21.96 7.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -84.97 -77.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.97 72.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.1 t -121.45 118.36 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' ASP . 45.4 p -103.63 141.86 35.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.56 -22.04 1.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -79.2 -32.14 43.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.41 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.9 m-20 -72.54 -45.59 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 9.6 p -62.5 -43.88 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -44.2 74.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.6 mt -67.31 -45.69 85.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.504 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 4.8 t -56.28 -43.31 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.649 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 10.2 t80 -62.7 -33.78 75.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 t -90.01 -4.6 57.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.43 ' CE ' ' HA ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -94.17 -20.98 19.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -96.71 -24.65 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.88 -179.54 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -120.43 147.65 44.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -40.89 -29.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 71' ' ' ALA . 2.9 t -72.27 -69.25 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.0 148.81 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.14 -8.03 11.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.1 m -129.45 173.44 13.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.407 HG12 ' CE2' ' A' ' 66' ' ' PHE . 1.7 pt -127.52 155.28 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.07 160.16 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 21.3 t80 -48.21 -22.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.29 -48.15 24.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -81.75 -24.36 36.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.463 ' CZ ' HD22 ' A' ' 45' ' ' LEU . 7.4 t80 -72.49 -26.8 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -77.42 -28.2 52.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -67.91 -47.08 69.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.559 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -54.7 -48.35 72.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 90' ' ' ALA . 96.7 mt -54.71 -43.77 72.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.598 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 3.6 mt-10 -57.55 -35.05 69.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 63.6 mm-40 -74.5 -32.65 62.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 47.2 mt -92.02 -2.34 56.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.8 -57.18 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 95' ' ' LYS . 25.6 p -77.68 -19.37 55.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 88' ' ' GLU . 30.6 mtpt -83.79 -26.96 29.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 31.4 tpt85 -93.03 -64.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 105' ' ' ALA . 87.1 m-85 -76.58 93.78 3.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 25.56 -121.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -130.24 32.99 3.0 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.451 ' HD2' ' CE ' ' A' ' 95' ' ' LYS . 21.0 mttt -51.14 -177.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 p -73.56 171.18 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 27.6 tttt -64.06 -45.82 87.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.69 -45.35 29.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.58 -51.53 66.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.88 63.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 31.0 t80 -56.68 -38.76 72.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 108' ' ' GLN . 0.1 OUTLIER -65.08 -21.92 66.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 94' ' ' PHE . . . -86.34 -52.3 5.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.524 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . 5.1 tt -57.74 -40.8 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.533 ' O ' ' N ' ' A' ' 111' ' ' ALA . 3.8 m -57.75 -44.69 86.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 108.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 3.0 mm-40 -49.83 -49.97 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.524 ' CD2' ' HA ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -47.14 -45.07 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 111' ' ' ALA . 3.0 mt -85.69 -73.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 107' ' ' CYS . . . -37.12 121.0 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 100.59 -37.15 3.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -78.25 -173.86 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.798 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -156.26 158.12 31.41 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.2 Cg_endo -75.01 1.66 7.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.73 -170.18 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -100.73 80.71 2.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.462 HG12 ' N ' ' A' ' 119' ' ' GLY . 0.3 OUTLIER -92.26 -157.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 118' ' ' ILE . . . 175.17 67.16 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 28.0 m -120.56 103.84 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.5 m -157.96 122.64 4.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -178.11 96.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -171.31 174.65 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 178.27 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 14.6 t -136.79 149.33 47.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.421 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.65 -136.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -165.49 -86.65 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.02 114.4 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 10.3 p -172.13 108.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -176.15 143.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.63 167.43 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -178.16 142.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.9 t -151.45 146.28 25.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -89.06 94.17 9.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.17 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 18.7 m -136.89 84.16 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 m -117.91 103.63 10.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.16 145.87 42.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 138' ' ' TYR . 1.3 p90 -92.6 137.27 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.8 t -165.9 143.41 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.336 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 170.84 -120.12 0.84 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.5 t 60.97 119.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -126.68 167.89 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.649 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.81 141.91 40.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.29 137.15 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 20.1 ttm-85 -176.08 103.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.7 162.36 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -161.01 136.74 4.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.63 28.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.1 m -145.18 -60.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.2 m 61.7 138.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -85.49 128.05 34.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 0.0 110.024 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t 179.64 98.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.6 117.48 1.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.11 170.32 11.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.24 120.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.78 -96.43 1.41 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.162 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.1 mtp -154.01 82.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.72 82.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -179.83 137.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.1 t -174.91 68.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.3 t -167.38 -54.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.12 -179.26 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.451 HG23 ' CB ' ' A' ' 111' ' ' ALA . 1.4 mm -104.71 -149.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 173.64 74.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.88 -15.53 1.96 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.127 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 20' ' ' SER . 60.3 tp -51.99 -70.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.569 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -49.74 -26.19 3.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -75.27 -29.92 60.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 52.9 m -83.19 -47.52 11.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ALA . 6.7 t80 -51.89 -51.17 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -48.78 -48.36 41.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 45.4 mttt -49.42 -42.83 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.588 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 45.8 m-85 -82.25 -27.22 32.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -68.69 -47.74 65.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 12.4 pt -93.7 14.63 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 10.9 t-80 -38.62 101.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.618 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.23 -55.0 3.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.447 ' HB3' ' CB ' ' A' ' 32' ' ' ALA . 3.3 t70 -41.25 105.25 0.38 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -21.31 16.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -82.48 -45.09 15.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' CB ' ' HB3' ' A' ' 29' ' ' ASP . . . -41.18 133.34 2.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 t -110.88 10.97 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.09 37.4 21.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -115.46 -8.62 12.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.773 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 1.9 mp0 -146.55 153.03 39.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' ILE . 27.8 ttm -138.83 119.73 14.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.5 OUTLIER -74.86 143.99 43.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.593 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.54 -37.96 13.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -65.47 -33.33 75.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' ASN . 37.6 m-20 -88.58 -9.16 53.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.492 ' CZ2' ' HB2' ' A' ' 85' ' ' ALA . 3.7 t-105 -95.66 -57.05 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.02 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.84 82.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -60.97 -41.39 96.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.588 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 9.1 tp -60.01 -30.67 69.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 59.9 m -71.59 -59.19 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.299 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.83 -48.29 70.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.47 -38.24 77.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' SG ' HD12 ' A' ' 45' ' ' LEU . 56.3 m -90.59 12.88 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 46.69 43.27 12.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 106' ' ' ILE . 5.3 t -86.63 -41.26 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.73 78.86 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.98 -30.14 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.507 ' CA ' ' O ' ' A' ' 57' ' ' VAL . . . 115.54 -34.84 4.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -88.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.767 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.04 -36.87 66.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.507 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 10.2 t -123.91 131.13 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 61' ' ' ASP . 40.7 p -116.05 140.87 48.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.389 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -47.68 -22.78 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -75.91 -31.6 59.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.1 m-20 -71.77 -47.79 51.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 63' ' ' ASP . 3.9 p -61.57 -38.41 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.419 ' N ' HG12 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -61.07 -42.04 97.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.33 -50.36 46.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.499 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 6.0 t -52.84 -48.07 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.593 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 18.5 t80 -59.7 -31.59 69.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.438 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -95.65 3.55 53.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.04 -34.32 7.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.97 -20.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 8.3 pttt -101.87 -163.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.87 166.4 17.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -14.91 38.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.06 -76.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.42 145.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 ptt-85 -113.06 -10.53 13.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.419 ' CG2' ' HG2' ' A' ' 36' ' ' GLU . 2.5 m -123.25 168.5 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 37' ' ' MET . 1.8 pt -120.4 148.58 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' GLU . 1.8 m120 -104.72 159.95 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.569 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.8 t80 -47.08 -25.07 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -75.13 -36.63 61.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' ASN . 48.7 mt-10 -90.65 -28.87 18.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.475 ' CE1' HD22 ' A' ' 45' ' ' LEU . 5.6 t80 -69.02 -26.42 64.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -77.37 -28.4 52.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -67.86 -43.63 79.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.499 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -58.3 -48.01 81.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 90' ' ' ALA . 90.2 mt -55.46 -38.02 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.609 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 8.9 mt-10 -63.69 -39.86 95.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.427 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 29.8 mm-40 -71.93 -32.11 67.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 21.3 mt -91.21 -6.11 53.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -64.29 -54.97 24.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 95' ' ' LYS . 58.4 p -78.17 -36.38 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' CD ' ' O ' ' A' ' 88' ' ' GLU . 26.8 mtpt -68.2 -10.24 52.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 43.3 tpt85 -105.88 -57.99 1.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.598 ' O ' ' C ' ' A' ' 95' ' ' LYS . 86.3 m-85 -90.39 95.47 10.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 23.13 -120.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -123.54 35.44 3.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 96' ' ' GLY . 11.8 mttp -54.69 -168.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.3 m -85.61 167.11 15.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' NZ ' ' OE2' ' A' ' 87' ' ' GLU . 5.1 tttm -65.29 -42.78 92.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.21 -51.26 12.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -55.29 -52.41 63.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -57.37 -55.63 32.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.609 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 67.5 t80 -54.4 -39.04 66.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -31.39 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -76.66 -36.14 57.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.468 HD11 ' CG1' ' A' ' 51' ' ' VAL . 0.2 OUTLIER -80.55 -37.19 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.402 ' N ' HG23 ' A' ' 106' ' ' ILE . 21.3 m -61.53 -26.25 67.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 108.298 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -76.96 -25.55 52.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 49.4 mt -67.0 -19.17 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.1 mt -108.54 -66.4 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.451 ' CB ' HG23 ' A' ' 14' ' ' ILE . . . -39.15 106.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.2 -40.68 2.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.9 mttt -72.17 170.55 13.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.29 150.99 26.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.562 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.5 Cg_endo -74.96 1.51 7.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.33 171.73 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -63.39 -55.66 22.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.3 mt -87.02 87.01 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -156.09 84.67 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.6 p -168.04 136.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.3 m -151.46 47.17 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -161.66 153.09 18.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -176.48 105.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -150.99 171.04 17.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.2 p -142.68 164.84 29.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.384 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -126.14 -161.17 10.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -162.93 126.07 1.49 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -170.87 160.35 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.47 103.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -169.2 152.13 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.94 172.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.421 ' C ' ' CD2' ' A' ' 132' ' ' LEU . 0.0 OUTLIER 175.33 126.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 14.5 t -108.9 134.75 51.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.39 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -170.89 120.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 136' ' ' SER . 10.3 t -123.71 -135.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.44 ' N ' ' OG1' ' A' ' 135' ' ' THR . 4.0 m -173.31 162.0 4.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -81.18 173.4 12.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 138' ' ' TYR . 6.9 p90 -122.91 171.97 8.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 11.3 t -163.52 141.48 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 168.76 151.82 7.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.15 166.18 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.953 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.68 174.24 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.636 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -139.74 -68.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 63.2 137.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -162.29 162.28 28.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.29 145.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -105.88 136.63 13.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.96 106.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.53 169.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.038 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -129.77 168.17 16.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 p -133.46 151.19 51.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.8 124.8 1.98 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -108.39 169.3 8.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 0.734 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.4 m -67.81 -52.13 40.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.31 131.07 6.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.42 170.93 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.9 129.23 35.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.08 -164.58 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.5 p -73.38 -147.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -74.64 -74.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 14' ' ' ILE . 0.7 OUTLIER -84.33 171.91 12.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.425 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 1.9 mp -39.33 -79.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 14' ' ' ILE . . . 65.23 83.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.43 -16.14 1.86 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.3 tp -54.63 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.743 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.48 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 3.2 tt0 -48.59 -29.39 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -69.15 -48.62 61.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.0 m -66.25 -36.88 84.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.422 ' CD1' ' HE3' ' A' ' 37' ' ' MET . 11.7 t80 -56.96 -53.11 61.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 110.969 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -49.84 -42.26 46.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -49.63 -55.14 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.579 ' CD1' HD13 ' A' ' 45' ' ' LEU . 62.4 m-85 -71.85 -29.42 64.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.78 -47.62 71.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' HIS . 4.5 pt -92.15 13.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ILE . 15.1 t-80 -38.62 111.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.24 -58.1 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.425 ' HB3' ' CB ' ' A' ' 32' ' ' ALA . 2.6 m-20 -44.28 105.31 0.43 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -21.61 15.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -83.09 -41.8 18.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' CB ' ' HB3' ' A' ' 29' ' ' ASP . . . -39.96 128.59 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m -91.64 -15.44 28.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 98.89 30.39 6.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -110.79 -1.36 16.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -144.63 152.01 39.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.422 ' HE3' ' CD1' ' A' ' 21' ' ' PHE . 30.5 ttm -143.47 129.97 20.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -81.72 143.58 31.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.583 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -47.12 -32.59 6.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -37.49 85.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.724 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ASN . 9.1 m-20 -81.96 -28.29 32.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.518 ' CZ2' ' HB1' ' A' ' 85' ' ' ALA . 5.2 t-105 -72.06 -58.82 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 107.97 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.33 -48.93 75.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -58.52 -44.13 89.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.579 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.3 tp -57.09 -31.39 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.43 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 57.8 m -74.32 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.1 72.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 -36.93 85.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' SG ' HD11 ' A' ' 45' ' ' LEU . 66.0 m -92.66 13.45 20.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.3 mmmm 45.99 46.13 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.43 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 3.6 t -89.42 -38.73 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -103.55 82.9 2.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -62.29 -30.88 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.408 ' CA ' ' O ' ' A' ' 57' ' ' VAL . . . 113.19 -30.12 7.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.65 -82.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -63.53 -34.53 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.408 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 17.5 t -125.73 118.37 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 61' ' ' ASP . 82.1 p -104.3 140.94 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.447 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -47.61 -22.61 1.84 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 m -75.27 -30.48 60.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -75.89 -49.65 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.422 HG23 ' CZ2' ' A' ' 42' ' ' TRP . 4.1 p -58.68 -36.15 58.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.38 -43.72 80.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.4 mt -66.76 -49.94 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.46 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 5.0 t -52.86 -50.92 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 27.5 t80 -57.52 -29.01 63.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.426 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -87.97 -14.13 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -93.04 -39.72 10.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.9 m -69.27 -36.1 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.0 pttt -84.1 -171.66 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -110.96 -178.68 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.97 10.33 19.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.64 -49.52 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.96 147.93 45.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.67 -6.6 12.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -129.11 161.2 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.461 HG22 ' CE2' ' A' ' 66' ' ' PHE . 34.2 pt -115.94 153.75 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLU . 2.0 m-20 -108.91 158.83 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.48 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 16.4 t80 -39.35 -42.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -58.05 -49.03 78.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ASN . 43.4 mt-10 -74.0 -41.4 61.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.527 ' CZ ' HD12 ' A' ' 86' ' ' LEU . 50.8 t80 -53.24 -49.38 66.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -27.29 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -39.47 92.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.518 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -71.4 -41.87 69.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.527 HD12 ' CZ ' ' A' ' 82' ' ' PHE . 20.4 mt -56.97 -38.46 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.57 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 7.2 mt-10 -65.27 -46.06 82.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 7.6 mm-40 -65.03 -29.68 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 59.5 mt -95.98 -5.74 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -63.98 -56.13 17.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' LYS . 62.6 p -77.01 -38.78 52.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 16.1 mtpt -64.89 -11.76 41.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 23.4 tpt85 -105.43 -53.92 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.613 ' O ' ' C ' ' A' ' 95' ' ' LYS . 78.6 m-85 -94.42 95.77 9.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.613 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 22.46 -119.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -128.3 36.13 2.55 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.454 ' CE ' ' HE3' ' A' ' 95' ' ' LYS . 13.2 mttm -55.36 -168.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 m -85.35 158.68 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.449 ' HD3' ' CG ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -55.75 -42.65 75.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.449 ' CG ' ' HD3' ' A' ' 99' ' ' LYS . 6.2 mt-10 -75.0 -52.77 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.43 -51.03 68.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.25 -50.96 71.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 69.0 t80 -61.1 -39.7 90.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -21.78 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.569 ' HB3' ' CE2' ' A' ' 94' ' ' PHE . . . -86.26 -39.23 16.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.461 HG23 ' N ' ' A' ' 107' ' ' CYS . 5.5 tt -74.41 -33.93 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.461 ' N ' HG23 ' A' ' 106' ' ' ILE . 99.2 m -67.16 -36.99 82.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.14 -21.93 64.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.434 HD13 ' CZ ' ' A' ' 94' ' ' PHE . 56.3 mt -73.04 -24.08 60.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.419 ' O ' ' C ' ' A' ' 111' ' ' ALA . 5.5 mt -102.0 -64.53 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.425 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -38.63 114.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.02 -39.51 2.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.417 1.073 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -75.48 167.04 22.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -150.71 156.84 36.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.0 1.47 7.71 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.17 -174.81 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.97 -60.05 1.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.9 mp 59.67 111.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 61.01 135.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.9 131.33 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 29.1 p -139.6 177.98 7.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 97.67 8.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.21 55.81 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt 65.02 87.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 67.8 p -145.25 165.1 29.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.372 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.95 127.13 2.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 121.39 74.11 0.34 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -167.39 142.48 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.6 p -160.15 125.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.5 p30 173.86 147.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.243 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 132' ' ' LEU . 13.9 ttt180 -163.66 -70.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER 74.78 147.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 60.5 p -124.4 59.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.443 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -167.45 101.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.1 t -96.6 -44.11 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.4 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.25 -162.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -142.52 138.23 30.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -48.1 100.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.2 t -171.46 141.46 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 134.06 166.27 11.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.71 152.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -102.32 159.67 15.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 121.65 17.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.39 136.34 5.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -175.7 166.4 3.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 58.7 p -122.35 -59.79 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.76 171.89 19.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.23 10.19 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.35 -58.49 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.51 161.47 36.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -174.31 121.25 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.063 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -157.95 158.39 34.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.73 101.51 0.79 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -173.15 174.33 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.999 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.02 163.06 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.11 120.84 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttp -105.26 -18.55 14.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.71 176.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.71 175.68 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.65 137.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -47.02 -80.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -81.9 176.74 9.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.476 HG21 ' CB ' ' A' ' 17' ' ' LEU . 46.0 mm -40.71 -78.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.36 73.76 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 158.69 -27.66 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.476 ' CB ' HG21 ' A' ' 14' ' ' ILE . 34.6 tp -58.01 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 3.5 tt0 -47.66 -25.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -74.77 -35.48 62.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' LEU . 49.8 m -80.11 -44.18 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -50.46 -55.79 14.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -49.88 -47.76 51.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' NZ ' ' OE1' ' A' ' 114' ' ' GLU . 34.4 mttm -49.87 -52.51 32.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.576 ' CD1' HD12 ' A' ' 45' ' ' LEU . 35.4 m-85 -73.12 -22.51 60.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.02 -47.64 28.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.0 pt -88.06 9.04 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -52.46 110.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.63 55.86 6.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.69 103.63 0.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -21.28 15.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -75.19 -41.01 58.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -45.76 141.16 3.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.0 p -106.68 -8.36 16.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.463 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 91.51 31.11 9.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -106.05 -13.32 15.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 110.292 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.12 148.93 51.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.8 ttm -139.63 118.69 12.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.417 ' ND2' HG13 ' A' ' 76' ' ' VAL . 1.8 m120 -73.79 143.8 45.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.543 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . -49.56 -37.32 26.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -38.94 88.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -79.5 -34.29 41.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.534 ' CH2' ' HB2' ' A' ' 85' ' ' ALA . 2.9 t-105 -65.83 -52.53 49.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 46' ' ' CYS . . . -61.59 -58.01 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -50.08 -25.21 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.576 HD12 ' CD1' ' A' ' 24' ' ' PHE . 9.8 tp -78.93 -30.52 44.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -74.62 -11.41 60.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.277 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.55 -50.02 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . 13.7 t0 -57.71 -34.67 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.407 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 37.1 m -94.55 11.2 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 45.62 43.09 8.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.3 t -82.52 -41.03 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.455 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . . . -92.42 81.88 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -52.32 -37.32 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.58 -30.71 7.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -81.12 -76.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -63.82 -42.9 97.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -115.63 124.1 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 61' ' ' ASP . 18.8 p -109.98 141.77 42.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.65 -21.41 2.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -78.89 -27.78 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.2 m-20 -77.28 -46.92 21.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.431 ' CG2' ' NE1' ' A' ' 42' ' ' TRP . 5.1 p -58.36 -36.54 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -47.95 75.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.3 mt -63.58 -48.06 88.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.7 t -56.73 -46.02 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CE1' ' HA2' ' A' ' 39' ' ' GLY . 48.9 t80 -59.8 -32.45 70.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.23 -7.2 54.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.03 -21.57 19.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.082 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.4 m -90.64 -32.29 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 66' ' ' PHE . 4.2 pttt -95.59 -165.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.47 172.27 9.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -67.76 -10.8 55.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t -93.73 -68.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.57 155.05 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -127.95 3.67 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.417 HG13 ' ND2' ' A' ' 38' ' ' ASN . 3.7 m -140.83 164.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 25.5 pt -125.0 151.19 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -103.45 160.27 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 21.2 t80 -40.4 -29.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 78' ' ' ASN . 2.4 mt-10 -72.29 -48.82 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' ASN . 98.7 mt-10 -78.18 -14.77 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.253 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.58 ' CE2' HD13 ' A' ' 86' ' ' LEU . 32.8 t80 -82.69 -33.04 27.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -71.74 -29.38 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -62.14 -59.31 5.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.534 ' HB2' ' CH2' ' A' ' 42' ' ' TRP . . . -47.8 -48.73 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.58 HD13 ' CE2' ' A' ' 82' ' ' PHE . 96.1 mt -53.61 -40.94 66.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.1 mm-40 -63.15 -36.61 84.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -76.16 -25.08 54.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 69.3 mt -98.9 -3.35 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -68.59 -57.56 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 95' ' ' LYS . 29.8 p -77.39 -35.33 54.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 15.3 mtpt -67.69 -10.73 55.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 28.6 tpt85 -106.87 -58.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.572 ' O ' ' C ' ' A' ' 95' ' ' LYS . 82.2 m-85 -87.62 96.2 10.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.572 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 25.98 -121.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -127.4 35.21 2.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 96' ' ' GLY . 2.4 mttp -54.49 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -82.9 174.36 10.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.04 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -68.98 -48.72 62.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.59 -47.91 29.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.57 -52.08 64.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -59.77 -54.51 45.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.602 ' CE2' ' SG ' ' A' ' 107' ' ' CYS . 73.9 t80 -54.94 -41.67 71.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -25.66 67.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.28 -35.08 28.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 107' ' ' CYS . 0.6 OUTLIER -80.14 -32.94 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.602 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 11.0 m -65.0 -23.36 67.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -78.35 -26.45 46.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.68 -34.14 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 6.5 mt -95.08 -58.37 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -44.75 105.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.2 -42.41 1.94 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.68 147.35 50.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.425 ' OE1' ' NZ ' ' A' ' 23' ' ' LYS . 39.0 mt-10 -129.62 153.33 80.72 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.485 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.06 1.44 7.76 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -174.46 100.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' GLY . 0.7 OUTLIER 172.34 46.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.07 87.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.549 ' O ' ' CG1' ' A' ' 120' ' ' VAL . . . 152.31 -80.28 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.549 ' CG1' ' O ' ' A' ' 119' ' ' GLY . 0.3 OUTLIER 87.8 163.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.352 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.5 t -51.55 167.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -102.71 167.97 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 66.82 145.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -109.12 -65.29 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 14.6 t -152.44 160.03 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.81 -107.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -138.42 -66.72 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 64.39 129.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.84 132.29 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -138.72 165.98 25.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 74.87 155.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.46 119.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 23.8 p -143.15 164.79 29.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 172.48 132.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' THR . . . . . 0.432 ' O ' ' OG ' ' A' ' 136' ' ' SER . 1.2 m -145.49 -56.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 135' ' ' THR . 91.5 p 57.0 160.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -160.57 131.97 5.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -157.83 100.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 6.5 m -147.34 150.21 34.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 102.63 109.64 3.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.95 94.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.28 104.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.04 172.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 62.64 114.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -122.75 96.32 4.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 t -170.23 170.09 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 118.6 123.74 3.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 162.31 37.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.97 -62.02 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.0 t -124.2 159.61 29.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 p -153.98 150.59 28.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.972 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -133.33 164.8 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.93 174.86 46.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t 62.1 89.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 p 176.88 125.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.84 -123.04 2.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ptp -153.0 172.67 16.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.26 156.44 31.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.72 163.46 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.21 81.96 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 t -175.28 -45.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -158.78 165.71 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.461 ' CG2' ' HB1' ' A' ' 111' ' ' ALA . 34.9 mm -46.56 -75.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 73.72 74.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.42 -22.53 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.472 ' CD2' ' SG ' ' A' ' 107' ' ' CYS . 58.0 tp -52.03 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 19.8 tt0 -46.96 -34.17 5.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.51 -50.87 70.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.7 p -63.68 -48.48 77.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' ALA . 18.4 t80 -49.78 -54.16 20.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -49.09 -47.01 45.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -52.95 -54.62 32.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.59 ' CD2' ' HB2' ' A' ' 45' ' ' LEU . 42.7 m-85 -68.76 -22.9 64.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -76.74 -47.68 21.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 34' ' ' GLY . 7.0 pt -91.0 26.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -100.57 88.94 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.592 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.92 -42.96 1.06 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.79 131.04 23.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -34.31 3.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -67.45 -28.79 68.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.33 136.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -114.27 9.73 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.415 ' N ' ' CG2' ' A' ' 26' ' ' ILE . . . 74.21 32.84 57.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -114.52 -14.49 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -133.59 145.22 49.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 30.4 ttm -135.64 118.7 16.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.98 144.13 47.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.697 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -56.55 -16.13 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -76.66 -41.64 44.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -82.59 -33.13 28.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.509 ' CZ3' ' SG ' ' A' ' 46' ' ' CYS . 3.8 t-105 -58.96 -58.36 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.8 -52.11 61.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -54.93 -35.82 64.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.59 ' HB2' ' CD2' ' A' ' 24' ' ' PHE . 12.0 tp -69.53 -27.76 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.509 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 84.4 m -92.17 11.24 26.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.449 ' HE3' ' CB ' ' A' ' 52' ' ' ALA . 8.1 mptt -118.58 -55.67 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -40.67 94.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 99.8 m -74.8 -4.24 36.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 49.5 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.1 t -94.95 -36.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -100.26 86.85 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.47 ' HB3' ' CZ ' ' A' ' 93' ' ' ARG . 20.9 p-10 -56.54 -38.39 71.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.28 -27.86 9.15 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -80.24 -75.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 92' ' ' LYS . . . -68.26 -41.74 80.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 t -112.47 118.19 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 61' ' ' ASP . 16.0 p -109.31 142.12 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.23 -22.75 1.0 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -74.26 -31.68 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -75.24 -50.88 14.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.414 HG21 ' NE1' ' A' ' 42' ' ' TRP . 4.2 p -57.7 -36.65 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -44.62 91.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 68' ' ' LYS . 22.7 mt -68.85 -46.0 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 5.3 t -55.67 -50.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.697 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 7.2 t80 -59.48 -31.27 69.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.435 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -86.92 -15.85 37.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -88.1 -40.94 13.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.1 m -67.43 -39.94 83.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 4.0 pttt -80.54 -173.32 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -111.83 166.41 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -13.74 53.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.85 -69.07 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.45 149.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.03 -24.55 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.8 m -112.16 -178.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.447 HG22 ' CE2' ' A' ' 66' ' ' PHE . 2.3 pt -132.44 148.37 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.34 160.34 14.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.3 t80 -50.67 -25.34 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.53 -28.76 56.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -97.41 -25.34 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.477 ' CE1' HD23 ' A' ' 45' ' ' LEU . 2.3 t80 -73.62 -38.97 64.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 9.0 ptpt -63.09 -32.72 74.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -61.0 -56.9 15.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -41.83 -44.61 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 90' ' ' ALA . 92.6 mt -52.73 -54.63 31.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -35.64 51.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -74.54 -30.51 61.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 93' ' ' ARG . 52.3 mt -98.97 4.42 47.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -82.16 -57.71 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.1 p -77.42 -20.42 54.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.414 ' O ' ' CB ' ' A' ' 56' ' ' ALA . 20.8 mtpt -83.25 -19.9 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 17.6 tpt85 -102.02 -65.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.601 ' O ' ' C ' ' A' ' 95' ' ' LYS . 80.5 m-85 -76.46 92.79 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.601 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 23.8 -121.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -127.87 31.51 3.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.429 ' HG3' ' CE ' ' A' ' 95' ' ' LYS . 16.1 mttt -49.32 178.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 101' ' ' GLU . 58.0 p -72.02 158.54 35.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 7.2 tttt -53.43 -41.15 65.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.55 -48.63 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 31.6 mt-10 -55.2 -52.02 64.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.446 ' HB3' ' CB ' ' A' ' 90' ' ' ALA . . . -55.02 -54.34 44.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.462 ' CE2' ' O ' ' A' ' 83' ' ' LYS . 3.1 t80 -61.09 -36.44 79.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.53 -24.78 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.571 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -82.82 -50.5 8.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.528 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . 3.7 tt -58.77 -29.63 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . 0.542 ' O ' ' CB ' ' A' ' 111' ' ' ALA . 6.4 m -66.81 -29.02 68.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -67.32 -39.68 85.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.528 ' CD2' ' HA ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -59.97 -45.26 93.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 111' ' ' ALA . 3.4 mt -90.09 -78.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -35.97 120.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.38 -34.36 5.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -81.7 175.08 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 0.714 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -153.67 150.75 23.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.576 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.2 Cg_endo -74.99 2.1 7.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.793 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.5 130.07 12.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 175.12 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.5 mp 47.06 75.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -173.81 -67.77 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 15.7 m -117.42 84.82 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 31.5 p -86.88 162.45 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -173.24 152.45 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -46.75 163.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.0 177.53 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.8 m -114.86 149.65 36.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -117.31 -164.2 13.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -158.77 178.58 34.91 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -146.23 175.53 10.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.8 t 40.9 86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -102.11 138.15 39.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.49 161.22 21.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.46 84.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 3.6 m -128.82 92.65 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -139.79 100.85 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.7 m -153.22 96.74 2.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 62.7 p -91.8 -16.18 27.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.14 153.42 49.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.2 155.68 36.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 12.9 t -59.8 143.7 50.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -129.82 146.9 17.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.6 p -152.3 112.59 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.747 . . . . 0.0 109.978 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.2 137.52 41.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.86 90.06 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -103.6 130.02 50.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 100.47 9.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.36 139.42 19.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 148.86 83.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -48.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.8 p 59.07 113.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.4 p -158.99 167.3 29.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.61 -27.38 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.454 HD22 ' SG ' ' A' ' 107' ' ' CYS . 67.6 tp -55.85 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 7.5 tt0 -48.17 -28.15 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -68.08 -40.51 82.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.544 ' HB2' HG22 ' A' ' 110' ' ' ILE . 17.4 m -75.46 -44.97 41.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -50.03 -53.65 25.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -45.99 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 92.3 mttt -53.81 -56.21 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.983 ' CD1' HD13 ' A' ' 45' ' ' LEU . 38.5 m-85 -65.87 -31.55 72.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -65.36 -47.91 74.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 pt -92.0 14.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CD2' ' HE2' ' A' ' 44' ' ' LYS . 5.7 t-80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.598 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -105.1 -26.65 12.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' OE1' HG23 ' A' ' 76' ' ' VAL . 6.7 mm-40 -125.33 157.83 35.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 ttm -138.88 122.06 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.499 ' HA ' HG12 ' A' ' 76' ' ' VAL . 1.2 t30 -73.08 143.41 47.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.673 ' CA ' ' CE1' ' A' ' 66' ' ' PHE . . . -55.45 -27.44 47.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -68.78 -37.5 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.48 -39.31 20.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.849 ' NE1' HG22 ' A' ' 62' ' ' VAL . 1.7 t-105 -54.34 -58.67 6.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.7 -49.02 66.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HE2' ' CD2' ' A' ' 27' ' ' HIS . 16.4 tttt -55.3 -47.77 75.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.983 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.6 tp -57.1 -29.28 63.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' ALA . 75.6 m -87.49 9.73 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.731 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.91 -55.29 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.45 -35.16 76.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 68.0 m -83.15 4.22 27.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.78 48.18 23.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.502 HG12 HD11 ' A' ' 106' ' ' ILE . 1.9 t -92.89 -33.91 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.731 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -102.03 80.22 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.21 -37.16 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.706 ' O ' HG22 ' A' ' 58' ' ' THR . . . 112.57 -30.57 7.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -78.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.846 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -67.89 -40.42 83.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 23.0 t -113.88 121.85 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 54' ' ' GLY . 18.5 p -112.47 141.49 46.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.42 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.515 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -43.63 -25.04 0.49 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 58' ' ' THR . 2.2 m -76.81 -39.76 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.37 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -64.26 -46.81 82.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.882 HG23 HD11 ' A' ' 89' ' ' LEU . 4.4 p -63.04 -36.97 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.32 -40.25 95.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mt -69.98 -51.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.675 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.5 t -53.0 -44.62 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.673 ' CE1' ' CA ' ' A' ' 39' ' ' GLY . 35.9 t80 -59.17 -35.29 73.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.428 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -90.08 -1.82 58.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -23.33 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 65' ' ' VAL . 8.8 m -88.79 -44.95 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.816 ' HB3' HG22 ' A' ' 77' ' ' ILE . 5.1 pttt -75.59 -164.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -123.19 153.29 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -20.96 4.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.9 t -85.51 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.47 151.95 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -113.7 -16.64 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 38' ' ' ASN . 0.8 OUTLIER -116.98 175.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.816 HG22 ' HB3' ' A' ' 70' ' ' LYS . 10.3 pt -126.76 156.67 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -109.55 158.79 17.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 10.6 t80 -40.84 -49.1 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -50.87 -48.49 60.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 35.3 mt-10 -72.43 -41.88 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.521 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 56.7 t80 -51.83 -50.95 59.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -62.0 -28.54 69.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -64.64 -45.42 86.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.51 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.45 -43.29 97.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 46.5 mt -56.56 -39.12 72.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.57 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 3.8 mm-40 -63.79 -38.65 91.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -73.63 -29.38 62.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.882 HD11 HG23 ' A' ' 62' ' ' VAL . 40.3 mt -97.9 1.97 48.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -79.05 -55.33 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.6 p -77.29 -20.93 54.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.846 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 13.0 mtpt -83.44 -30.24 27.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 20.4 tpt85 -80.56 -65.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.929 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 72.0 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -42.01 65.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.24 -51.05 11.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -55.46 -53.17 59.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.57 77.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.606 ' O ' HG22 ' A' ' 106' ' ' ILE . 69.7 t80 -60.65 -41.17 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -26.69 61.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.929 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -72.19 -42.26 66.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.631 ' HA ' HD12 ' A' ' 109' ' ' LEU . 9.9 tt -71.22 -28.05 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.454 ' SG ' HD22 ' A' ' 17' ' ' LEU . 94.7 m -72.55 -33.3 66.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 108.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.35 -12.45 56.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 106' ' ' ILE . 22.5 mt -88.22 -34.36 17.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.8 mt -92.42 -65.47 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.31 111.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.02 -42.46 1.94 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -71.25 149.13 46.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 23' ' ' LYS . 4.8 mt-10 -121.41 158.5 53.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 148.42 -18.38 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.647 HD22 ' SG ' ' A' ' 107' ' ' CYS . 43.4 tp -52.48 -72.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 0.727 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -47.94 -25.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -77.61 -35.63 52.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.574 ' HB2' HG22 ' A' ' 110' ' ' ILE . 30.0 m -78.51 -42.38 29.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE1' ' CG ' ' A' ' 82' ' ' PHE . 27.9 t80 -56.9 -51.01 70.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -45.11 42.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -49.82 -56.23 11.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.959 ' CD1' HD13 ' A' ' 45' ' ' LEU . 50.1 m-85 -65.72 -32.37 73.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -62.4 -47.51 83.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.46 HG23 ' HA2' ' A' ' 34' ' ' GLY . 14.8 pt -91.37 13.13 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -114.24 -13.53 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -128.4 153.86 46.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.558 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 36.0 ttm -138.57 134.41 33.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -83.79 143.22 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.598 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -49.72 -21.75 3.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -76.42 -40.78 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.734 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -80.85 -21.16 40.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.81 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.1 t-105 -75.4 -56.04 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.81 -49.05 76.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -57.05 -47.51 80.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.959 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.5 tp -57.17 -30.57 64.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.498 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 74.1 m -84.6 5.19 28.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.695 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -113.13 -47.54 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.59 -35.72 80.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 91.0 m -87.04 8.33 23.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.88 51.09 16.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.515 HG12 HD11 ' A' ' 106' ' ' ILE . 1.8 t -94.82 -31.75 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.695 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -105.96 75.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -48.95 -35.53 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.72 ' O ' HG22 ' A' ' 58' ' ' THR . . . 111.5 -31.59 7.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -77.58 -76.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.796 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.864 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.27 -42.08 88.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.23 120.86 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 54' ' ' GLY . 36.7 p -111.96 141.56 45.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.569 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -44.86 -24.02 0.68 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.666 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -70.61 -34.94 72.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -75.7 -52.13 11.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.81 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.2 p -58.89 -35.85 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -67.97 -48.74 65.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 60' ' ' THR . 23.4 mt -64.65 -48.74 83.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.8 t -52.54 -47.82 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.598 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 31.8 t80 -57.24 -31.56 65.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.62 -8.37 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.95 -9.94 27.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 65' ' ' VAL . 16.2 m -105.71 -24.89 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HB3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -100.97 -168.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.87 153.29 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -20.52 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -84.96 -55.6 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.38 156.25 23.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -128.04 4.01 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.14 160.47 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 82' ' ' PHE . 22.4 pt -118.14 152.16 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -103.13 159.31 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 13.1 t80 -41.84 -28.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.94 -49.06 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 81' ' ' GLU . 3.1 mp0 -76.77 -15.32 59.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 17.2 t80 -82.03 -36.07 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -73.48 -27.26 61.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -63.24 -46.67 85.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.52 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -61.37 -44.61 96.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.517 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 63.4 mt -53.88 -42.43 68.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 2.9 mt-10 -60.45 -43.44 96.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.426 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 15.1 mm-40 -69.02 -26.54 65.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.706 ' CD1' HG23 ' A' ' 62' ' ' VAL . 38.3 mt -99.62 1.86 44.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.53 -54.47 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.9 p -77.02 -21.33 54.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.864 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 12.1 mtpt -84.03 -28.16 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 27.5 tpt85 -82.67 -64.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.949 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 72.1 m-85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -48.78 -47.23 42.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.27 -50.16 42.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.44 -51.71 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.38 78.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 38.1 t80 -67.08 -40.32 86.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.0 -22.38 60.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.949 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -80.61 -42.32 22.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' A' ' 109' ' ' LEU . 10.2 tt -75.51 -33.18 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.647 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.1 m -68.18 -31.19 70.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -74.44 -14.86 60.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 106' ' ' ILE . 71.6 mt -78.55 -26.04 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.574 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.5 mt -98.51 -62.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.38 115.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.72 -42.01 2.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.3 mttt -73.08 165.89 24.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -152.08 156.8 34.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.9 -26.43 0.25 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.555 HD22 ' SG ' ' A' ' 107' ' ' CYS . 50.2 tp -57.88 -81.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 6.5 tt0 -47.18 -25.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -74.01 -39.15 63.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.897 ' OG ' HG22 ' A' ' 110' ' ' ILE . 10.5 p -78.11 -45.19 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.46 -52.24 39.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -49.78 -48.22 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' SER . 74.3 mttt -49.23 -50.54 38.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.017 ' CD2' HD13 ' A' ' 45' ' ' LEU . 41.7 m-85 -69.99 -31.37 69.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -66.67 -47.64 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' HIS . 1.6 pt -92.15 13.34 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' ILE . 31.8 t-80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -114.81 -14.99 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.791 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.551 ' OE1' HG23 ' A' ' 76' ' ' VAL . 8.3 mm-40 -136.29 158.19 45.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.2 ttm -138.31 121.08 16.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.3 m-20 -76.41 143.15 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.537 ' CA ' ' CE1' ' A' ' 66' ' ' PHE . . . -46.92 -29.29 4.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -38.65 78.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 73.4 m-20 -81.42 -29.55 33.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.81 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.0 t-105 -69.99 -67.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.03 -47.74 8.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -58.4 -49.06 78.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.017 HD13 ' CD2' ' A' ' 24' ' ' PHE . 13.5 tp -59.04 -27.59 65.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.606 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 57.5 m -92.18 23.16 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.349 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -134.69 -54.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.44 -38.56 87.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.8 m -76.31 -3.29 35.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.16 39.6 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.152 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.7 t -87.2 -37.45 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -101.29 84.64 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 93' ' ' ARG . 54.5 t0 -59.24 -35.36 73.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.651 ' O ' HG22 ' A' ' 58' ' ' THR . . . 112.14 -28.28 9.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.53 -75.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.849 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.33 -41.17 90.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t -116.3 120.11 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 54' ' ' GLY . 29.3 p -108.28 141.37 40.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.95 -24.38 0.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m -76.96 -36.61 56.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -68.26 -47.01 68.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.178 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.941 HG23 HD11 ' A' ' 89' ' ' LEU . 5.0 p -62.85 -41.08 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -41.18 83.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 mt -70.55 -47.93 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.535 HG22 ' HE3' ' A' ' 68' ' ' LYS . 5.1 t -54.35 -47.73 69.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CE1' ' CA ' ' A' ' 39' ' ' GLY . 44.2 t80 -57.96 -34.98 70.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.33 -2.07 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.535 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -99.55 -21.36 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 65' ' ' VAL . 22.2 m -93.36 -28.13 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.743 ' HB3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -101.0 177.38 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.67 151.82 23.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.15 -23.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -82.56 -66.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.3 143.22 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -114.04 6.43 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.551 HG23 ' OE1' ' A' ' 36' ' ' GLU . 3.7 m -139.96 170.11 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.743 HG22 ' HB3' ' A' ' 70' ' ' LYS . 23.3 pt -127.55 155.46 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' GLU . 19.0 p-10 -110.18 155.69 21.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 18' ' ' GLU . 16.8 t80 -41.33 -32.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.52 -45.77 82.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' ASN . 41.4 mt-10 -79.14 -38.92 34.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.641 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 15.1 t80 -57.37 -34.93 69.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.08 -30.03 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -66.93 -41.49 86.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -64.41 -43.95 92.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.641 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 45.5 mt -57.01 -36.98 71.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.572 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 4.3 mt-10 -64.96 -39.37 93.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -72.03 -25.44 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.941 HD11 HG23 ' A' ' 62' ' ' VAL . 63.2 mt -99.46 -5.42 29.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -66.52 -59.37 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.5 p -77.47 -38.37 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.399 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.849 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 13.5 mtpt -62.44 -13.49 30.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 24.1 tpt85 -108.68 -55.51 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.919 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 70.3 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -56.46 -44.11 80.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -73.35 -52.95 12.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.59 -51.56 66.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -54.86 -57.14 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 40.0 t80 -55.23 -41.91 72.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -21.73 66.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.919 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -84.11 -45.81 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 109' ' ' LEU . 5.2 tt -68.2 -29.04 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.555 ' SG ' HD22 ' A' ' 17' ' ' LEU . 12.6 m -72.05 -24.22 61.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -79.83 -15.06 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 106' ' ' ILE . 52.9 mt -84.56 -31.0 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.897 HG22 ' OG ' ' A' ' 20' ' ' SER . 5.9 mt -97.15 -62.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -43.82 112.33 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.0 -37.54 3.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 110' ' ' ILE . 3.4 mttm -76.03 169.21 18.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.2 pm0 -151.86 156.73 34.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.9 -27.38 0.23 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.679 HD22 ' SG ' ' A' ' 107' ' ' CYS . 60.1 tp -54.36 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -46.91 -26.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.46 -38.72 65.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.707 ' OG ' HG22 ' A' ' 110' ' ' ILE . 9.7 p -76.1 -45.9 31.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' CD1' ' CG ' ' A' ' 82' ' ' PHE . 19.8 t80 -51.88 -50.9 60.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -53.13 -48.42 67.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 14.9 mttm -50.06 -42.88 50.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.942 ' CD2' HD13 ' A' ' 45' ' ' LEU . 29.8 m-85 -82.53 -22.92 34.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -73.02 -47.71 42.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 pt -91.83 16.27 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -113.75 -15.37 12.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -136.37 154.13 50.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 19.2 ttm -139.74 117.41 11.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.47 ' HA ' HG12 ' A' ' 76' ' ' VAL . 9.8 m-20 -72.94 143.37 47.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.624 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.72 -39.23 23.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -61.55 -27.6 68.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -92.18 -32.3 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.755 ' HE1' HG22 ' A' ' 62' ' ' VAL . 2.2 t-105 -70.41 -66.2 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.3 -51.98 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -54.14 -36.66 63.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.942 HD13 ' CD2' ' A' ' 24' ' ' PHE . 11.6 tp -71.03 -27.15 63.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.485 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 58.7 m -92.97 24.89 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 -63.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.24 -39.06 78.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' SG ' HD12 ' A' ' 45' ' ' LEU . 60.0 m -71.63 -6.36 40.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt 67.37 42.11 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.4 t -92.8 -32.42 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -109.98 83.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -61.96 -32.01 72.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.971 ' O ' HG22 ' A' ' 58' ' ' THR . . . 114.46 -31.77 6.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.433 1.083 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -83.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 0.793 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.732 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -55.15 -41.94 72.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.45 118.7 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.971 HG22 ' O ' ' A' ' 54' ' ' GLY . 81.5 p -108.62 141.92 39.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.514 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -44.8 -23.97 0.66 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.577 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.2 m -72.84 -34.45 66.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.757 . . . . 0.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -75.09 -50.44 16.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.898 HG23 HD11 ' A' ' 89' ' ' LEU . 4.3 p -60.04 -36.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.11 -42.69 93.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 60' ' ' THR . 23.9 mt -70.04 -46.46 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.687 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -54.67 -51.32 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.624 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 6.7 t80 -60.08 -31.12 69.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -88.44 -9.07 53.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -95.66 -43.04 8.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.687 HG13 ' O ' ' A' ' 65' ' ' VAL . 6.4 m -66.94 -33.01 60.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 5.5 pttp -86.9 -173.29 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -114.09 165.43 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.93 -13.51 57.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.9 -64.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.04 148.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -111.86 -18.36 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 38' ' ' ASN . 8.8 m -116.35 -176.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.423 HG22 ' HB3' ' A' ' 70' ' ' LYS . 2.9 pt -130.65 149.06 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.19 160.02 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.494 ' CZ ' ' HD3' ' A' ' 83' ' ' LYS . 16.0 t80 -43.91 -58.48 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.66 -34.7 12.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -82.46 -31.85 29.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 43.7 t80 -63.68 -32.78 74.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.494 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 4.0 mtmt -77.34 -26.25 51.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -43.72 89.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.558 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -67.59 -42.68 82.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 35.1 mt -56.75 -42.88 80.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.532 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -60.1 -39.78 87.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 57.5 mm-40 -70.74 -30.76 67.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.898 HD11 HG23 ' A' ' 62' ' ' VAL . 55.7 mt -93.43 -3.01 53.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -76.58 -58.12 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.4 p -77.33 -20.0 55.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.732 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 23.3 mtpt -84.01 -19.1 35.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 5.7 tpt180 -99.46 -66.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.879 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 78.6 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -40.94 97.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.98 -52.61 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.17 -51.88 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -54.55 -50.4 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.532 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 53.7 t80 -64.97 -37.99 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -21.86 66.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.879 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -85.14 -47.77 9.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.618 ' HA ' HD12 ' A' ' 109' ' ' LEU . 4.8 tt -63.61 -30.02 48.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.693 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 22.5 m -71.16 -25.35 62.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 108.291 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -79.15 -12.03 59.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 106' ' ' ILE . 34.1 mt -88.14 -34.37 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.707 HG22 ' OG ' ' A' ' 20' ' ' SER . 5.1 mt -97.37 -65.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -40.95 112.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.89 -41.47 2.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -71.19 158.78 35.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.69 156.13 78.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.52 0.28 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 tp -56.87 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -47.39 -29.35 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -71.19 -42.01 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.617 ' HB3' HG22 ' A' ' 110' ' ' ILE . 24.4 t -75.0 -46.49 34.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -52.12 -50.35 61.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -47.56 43.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 17.7 mttm -51.2 -47.87 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.071 ' CD2' HD13 ' A' ' 45' ' ' LEU . 49.2 m-85 -75.14 -29.81 60.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.417 ' CA ' ' HE3' ' A' ' 37' ' ' MET . . . -64.66 -47.83 77.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 10.6 pt -92.91 15.09 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 28.6 t60 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.596 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -115.4 -14.16 11.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.61 ' HB3' HG21 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -141.39 154.31 45.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.417 ' HE3' ' CA ' ' A' ' 25' ' ' ALA . 29.5 ttm -136.31 117.26 14.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -73.17 144.31 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.635 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -50.76 -36.92 33.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -61.87 -31.88 72.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -87.36 -38.17 16.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.851 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.2 t-105 -60.93 -64.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.34 -49.67 33.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -56.64 -39.6 73.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.071 HD13 ' CD2' ' A' ' 24' ' ' PHE . 13.7 tp -68.61 -26.43 65.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.598 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 14.4 m -91.59 27.41 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 -52.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -61.9 -36.64 81.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.5 m -79.86 0.13 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.33 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt 67.1 41.16 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -87.69 -40.78 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -97.24 -177.16 3.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -169.1 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.712 ' O ' HG22 ' A' ' 58' ' ' THR . . . 122.69 -19.34 7.96 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.22 -78.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.08 -44.46 84.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.9 t -123.54 122.55 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 54' ' ' GLY . 41.4 p -105.81 140.77 38.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -49.44 -20.57 2.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.632 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.4 m -77.12 -27.58 54.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.51 -46.89 16.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.858 HG23 HD11 ' A' ' 89' ' ' LEU . 4.0 p -60.4 -37.08 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -47.04 75.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 60' ' ' THR . 25.2 mt -64.97 -48.13 85.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.4 t -53.88 -50.86 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.635 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 6.0 t80 -59.95 -27.53 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -90.61 -12.08 38.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -90.77 -41.73 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 65' ' ' VAL . 11.8 m -68.39 -45.79 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 4.5 pttp -71.59 -175.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -121.68 147.49 45.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' ALA . 1.8 ttmm -40.29 -29.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -79.03 -73.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.68 148.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -114.41 -16.23 11.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 36' ' ' GLU . 34.6 m -119.93 -175.36 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.643 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.8 pt -133.41 148.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 81' ' ' GLU . 8.9 p-10 -104.43 157.72 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 14.0 t80 -40.89 -35.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.6 -48.51 77.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -75.46 -39.24 58.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.643 ' HB2' HD12 ' A' ' 77' ' ' ILE . 23.2 t80 -57.77 -34.15 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -29.35 63.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -69.69 -40.91 76.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.522 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.28 -45.18 92.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 56.0 mt -55.41 -44.11 75.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.584 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.2 mt-10 -58.05 -38.45 76.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.242 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -72.82 -27.28 61.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.858 HD11 HG23 ' A' ' 62' ' ' VAL . 53.8 mt -98.53 0.64 45.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.26 -57.19 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.2 p -77.08 -23.24 51.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.586 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.0 mtpt -79.57 -29.55 41.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 13.8 tpt180 -83.81 -65.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.95 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 75.4 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -47.93 -42.29 26.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.39 -49.71 14.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -55.31 -52.74 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.8 76.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.584 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 31.1 t80 -66.62 -40.27 88.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.64 -22.86 58.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.95 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -76.3 -43.57 40.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.579 ' HA ' HD12 ' A' ' 109' ' ' LEU . 12.5 tt -69.8 -29.36 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 57.9 m -72.38 -31.61 65.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -65.3 -11.12 38.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 106' ' ' ILE . 11.4 mt -92.66 -32.27 14.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.617 HG22 ' HB3' ' A' ' 20' ' ' SER . 7.0 mt -91.27 -64.35 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.63 115.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.26 -42.34 1.93 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER -66.6 168.92 8.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -148.84 157.18 40.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.44 -28.2 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.524 HD22 ' SG ' ' A' ' 107' ' ' CYS . 53.9 tp -56.57 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 6.9 tt0 -47.27 -29.13 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.73 -39.39 76.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB2' HG22 ' A' ' 110' ' ' ILE . 15.0 m -77.43 -47.3 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -50.66 -51.04 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -46.12 64.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -52.15 -56.0 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.986 ' CD1' HD13 ' A' ' 45' ' ' LEU . 40.6 m-85 -63.6 -31.99 73.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -63.16 -47.4 82.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.487 HG23 ' HA2' ' A' ' 34' ' ' GLY . 15.6 pt -88.82 11.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' ND1' ' CE ' ' A' ' 44' ' ' LYS . 39.0 t60 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.601 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -114.38 -14.0 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.6 mp0 -126.99 152.18 47.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.544 ' HE1' HD22 ' A' ' 45' ' ' LEU . 34.4 ttm -137.47 118.58 14.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.7 m-20 -73.62 143.32 46.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.614 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.45 -35.6 10.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -63.73 -35.89 82.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ASN . 10.7 m-20 -83.22 -37.79 23.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.953 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.7 t-105 -60.06 -57.09 14.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 107.96 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.83 -52.34 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' CE ' ' ND1' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -53.37 -37.04 62.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.986 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.3 tp -69.49 -25.63 64.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 31.8 m -93.36 33.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.33 -65.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -43.28 84.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.8 m -65.98 -9.78 33.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 108.293 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt 69.65 34.78 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.511 HG13 ' CG1' ' A' ' 106' ' ' ILE . 2.0 t -80.66 -36.32 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -94.33 -177.9 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.8 -43.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.724 ' O ' HG22 ' A' ' 58' ' ' THR . . . 119.33 -26.71 7.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.17 -79.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.786 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.85 -45.92 87.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.5 t -123.53 119.52 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 54' ' ' GLY . 57.7 p -99.93 139.34 35.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.91 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.67 -25.9 0.97 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -76.0 -40.5 53.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -58.8 -42.74 89.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.953 HG22 ' NE1' ' A' ' 42' ' ' TRP . 5.2 p -61.77 -25.97 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.54 -48.04 17.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.3 mt -60.45 -49.23 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.689 HG22 ' HE3' ' A' ' 68' ' ' LYS . 4.7 t -59.0 -42.16 85.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.614 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 14.0 t80 -60.6 -33.61 73.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 t -89.19 -7.03 56.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.689 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -94.44 -24.08 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 65' ' ' VAL . 19.4 m -90.29 -30.12 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.727 ' HB3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -95.04 178.52 5.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -113.25 144.04 43.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -40.3 -30.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.421 ' N ' ' C ' ' A' ' 71' ' ' ALA . 28.0 p -72.92 -73.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.47 145.53 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -113.26 -2.08 14.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.27 162.36 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.727 HG22 ' HB3' ' A' ' 70' ' ' LYS . 36.0 pt -115.79 150.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -105.59 160.11 15.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 18' ' ' GLU . 19.3 t80 -46.57 -26.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -76.07 -35.86 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 78' ' ' ASN . 27.8 mt-10 -90.24 -24.68 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 13.5 t80 -73.6 -28.66 61.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -28.89 61.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.89 -42.5 90.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.638 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.39 -44.97 93.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.717 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 43.1 mt -57.31 -31.5 65.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.565 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -71.39 -38.21 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -75.0 -30.42 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.503 HD11 HG23 ' A' ' 62' ' ' VAL . 55.5 mt -94.98 -8.87 35.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -64.75 -58.91 4.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 p -76.96 -41.93 41.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.786 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 12.7 mtpt -57.71 -20.32 33.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 52.2 tpt85 -100.34 -54.2 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.974 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.1 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -57.46 -44.94 85.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 104' ' ' ASP . 3.0 mm-40 -72.89 -52.65 13.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.66 -51.45 67.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -52.91 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 49.4 t80 -62.13 -32.76 73.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -71.88 -22.93 61.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.974 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -84.19 -45.99 12.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.525 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.3 tt -65.98 -34.49 70.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.524 ' SG ' HD22 ' A' ' 17' ' ' LEU . 34.0 m -68.93 -31.4 70.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.293 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -71.07 -15.43 62.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 106' ' ' ILE . 64.3 mt -84.07 -34.74 24.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.775 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.9 mt -94.12 -62.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -41.63 111.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 107.86 -41.01 2.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -73.69 169.09 18.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -149.72 156.71 38.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.01 -24.25 0.47 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD22 ' SG ' ' A' ' 107' ' ' CYS . 57.3 tp -57.95 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.375 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.16 -26.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -73.57 -46.18 48.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB2' HG22 ' A' ' 110' ' ' ILE . 51.0 m -69.0 -42.27 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CE2' ' SD ' ' A' ' 37' ' ' MET . 6.2 t80 -54.72 -53.02 60.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -54.26 -45.38 72.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -50.24 -43.04 52.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.74 ' CD1' HD13 ' A' ' 45' ' ' LEU . 21.6 m-85 -82.86 -22.56 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.862 ' HB2' ' SD ' ' A' ' 37' ' ' MET . . . -75.05 -46.74 32.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.8 pt -89.41 24.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 115' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.572 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' HA3' ' CD ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -113.37 -4.27 13.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -134.49 151.11 50.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.862 ' SD ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -142.89 137.58 29.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -94.04 143.65 26.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.713 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -57.22 -17.36 23.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -72.3 -40.06 67.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' LEU . 1.4 m120 -83.15 -40.5 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.955 ' NE1' HG22 ' A' ' 62' ' ' VAL . 2.4 t-105 -52.02 -44.69 64.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 107.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' CYS . . . -69.08 -60.87 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -49.81 -24.65 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.74 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.8 tp -78.4 -31.99 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -72.65 -12.7 61.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 108.271 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -46.56 4.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.84 -43.15 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 m -82.76 -12.88 57.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm 71.53 42.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.279 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.544 HG12 HD11 ' A' ' 106' ' ' ILE . 2.6 t -82.74 -41.27 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . . . -91.27 -166.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -173.06 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.832 ' O ' HG22 ' A' ' 58' ' ' THR . . . 122.71 -25.12 6.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -84.43 -76.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -71.2 -38.81 72.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLY . 25.0 t -124.71 119.85 57.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.832 HG22 ' O ' ' A' ' 54' ' ' GLY . 57.6 p -106.4 140.56 39.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -48.6 -21.82 2.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.647 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -74.27 -28.97 61.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -79.78 -50.59 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.955 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.3 p -57.36 -34.66 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -72.01 -48.3 45.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.647 HD12 ' O ' ' A' ' 60' ' ' THR . 36.0 mt -63.62 -49.62 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -52.03 -49.03 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.713 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 2.3 t80 -58.61 -33.79 70.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.9 t -89.71 0.06 57.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -104.22 -23.64 13.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 65' ' ' VAL . 11.0 m -85.31 -42.34 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' VAL . 16.8 pttp -56.67 -164.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.32 -153.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -20.73 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.5 t -142.68 -88.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 54.1 171.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.769 ' O ' HG13 ' A' ' 76' ' ' VAL . 6.9 ptt180 -137.82 13.06 2.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -164.3 172.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 pt -129.13 155.11 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.2 p30 -104.07 158.54 16.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -43.06 -46.87 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -55.73 -36.95 67.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' ASN . 53.7 mt-10 -83.06 -23.51 33.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.679 ' CE2' HD11 ' A' ' 86' ' ' LEU . 47.3 t80 -73.61 -34.25 64.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -74.91 -27.54 60.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -66.28 -47.57 73.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.559 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -61.14 -44.5 97.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.679 HD11 ' CE2' ' A' ' 82' ' ' PHE . 39.2 mt -52.29 -42.6 63.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 16.8 mt-10 -59.19 -50.02 75.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 5.7 mm-40 -62.99 -26.67 68.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 62' ' ' VAL . 53.3 mt -99.3 2.1 45.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.26 -56.59 4.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.1 p -77.19 -19.08 57.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.938 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 9.0 mtpt -85.79 -23.87 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 45.0 tpt85 -89.01 -66.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.928 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 68.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -50.95 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 104' ' ' ASP . 14.7 mt-10 -68.1 -49.5 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -55.5 -51.7 66.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.72 95.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.605 ' O ' HG22 ' A' ' 106' ' ' ILE . 52.9 t80 -67.96 -35.16 77.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -77.34 -36.33 53.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.928 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -63.12 -39.86 95.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.643 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.8 tt -73.14 -27.88 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.473 ' SG ' HD22 ' A' ' 17' ' ' LEU . 17.6 m -71.09 -32.45 69.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -71.39 -14.04 62.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 106' ' ' ILE . 65.7 mt -82.34 -38.28 24.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.775 HG22 ' HB2' ' A' ' 20' ' ' SER . 4.5 mt -93.22 -60.53 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -41.13 105.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.76 -46.07 1.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.6 mttm -64.88 165.48 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.41 156.55 36.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.59 -13.12 2.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.775 HD22 ' SG ' ' A' ' 107' ' ' CYS . 59.8 tp -51.16 -74.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 10.7 tt0 -46.98 -30.15 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -69.1 -36.83 77.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' HG22 ' A' ' 110' ' ' ILE . 67.8 m -75.67 -49.02 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' ALA . 31.1 t80 -50.05 -52.61 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' NH1' ' OE1' ' A' ' 18' ' ' GLU . 2.8 mtt180 -48.93 -47.67 43.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 17.7 mttm -52.11 -53.01 47.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.96 ' CD1' HD13 ' A' ' 45' ' ' LEU . 45.8 m-85 -70.46 -25.42 63.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -73.57 -47.93 36.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.583 HG23 ' HA2' ' A' ' 34' ' ' GLY . 4.7 pt -92.13 16.58 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.623 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.583 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' OD1' ' A' ' 78' ' ' ASN . 4.9 mt-30 -115.43 -30.79 6.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.407 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -114.81 157.34 23.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.2 ttm -143.22 133.66 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -84.92 143.3 29.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.591 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.15 -32.15 6.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -42.54 83.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -76.64 -27.96 55.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.871 ' NE1' HG22 ' A' ' 62' ' ' VAL . 3.2 t-105 -70.2 -70.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.12 -54.7 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -54.07 -40.85 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.96 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.5 tp -66.08 -25.51 67.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.524 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 13.6 m -93.62 37.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -142.74 -68.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.62 -26.54 56.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.503 ' SG ' HD12 ' A' ' 45' ' ' LEU . 56.8 m -84.75 6.49 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 108.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.9 mptt 59.6 40.41 20.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.75 ' HA ' HD23 ' A' ' 109' ' ' LEU . 1.5 t -91.53 -40.89 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -105.63 -178.35 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.29 -42.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.778 ' O ' HG22 ' A' ' 58' ' ' THR . . . 125.14 -23.2 6.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.19 -79.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.666 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.59 -42.4 98.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.74 125.55 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.778 HG22 ' O ' ' A' ' 54' ' ' GLY . 44.4 p -108.23 140.6 41.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.01 -21.4 2.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.499 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -77.51 -29.37 52.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.356 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -78.94 -48.08 15.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.871 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.7 p -58.28 -37.21 61.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.53 -45.21 84.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 60' ' ' THR . 27.7 mt -63.88 -49.01 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -54.27 -45.36 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.591 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 32.9 t80 -60.71 -32.38 71.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 t -90.74 -4.87 56.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -21.66 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 65' ' ' VAL . 13.6 m -93.82 -35.33 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.12 -175.36 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -126.55 148.79 49.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -40.31 -29.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' ALA . 0.6 OUTLIER -74.82 -74.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.68 145.14 9.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.66 -10.68 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.6 m -122.31 168.83 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.3 pt -125.22 146.91 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' GLU . 36.3 m-20 -97.4 160.36 14.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 21.7 t80 -44.36 -32.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.87 -41.35 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' ASN . 36.6 mt-10 -82.89 -14.02 55.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.604 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 39.9 t80 -82.42 -34.04 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -72.3 -29.59 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -60.58 -57.11 14.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.6 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -52.15 -44.6 64.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.77 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 80.6 mt -57.27 -29.84 64.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.435 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -74.59 -36.84 63.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 61.0 mm-40 -76.12 -29.79 57.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.864 HD11 HG23 ' A' ' 62' ' ' VAL . 65.4 mt -94.93 -17.94 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -52.42 -61.52 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 p -69.73 -48.13 60.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.433 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.666 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 14.7 mtpt -55.35 -24.8 31.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 47.7 tpt85 -89.02 -52.76 4.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.79 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 82.9 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -55.63 -42.52 75.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.29 -52.49 10.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.58 -51.72 66.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.87 63.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.459 ' CE2' ' SG ' ' A' ' 107' ' ' CYS . 64.3 t80 -60.76 -36.51 79.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -28.39 68.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.79 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -78.86 -55.36 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.819 ' HA ' HD22 ' A' ' 109' ' ' LEU . 6.8 tt -57.2 -36.14 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.775 ' SG ' HD22 ' A' ' 17' ' ' LEU . 1.3 m -58.1 -33.8 69.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.48 -39.05 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.819 HD22 ' HA ' ' A' ' 106' ' ' ILE . 0.4 OUTLIER -48.29 -37.16 15.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.628 HG23 HD11 ' A' ' 45' ' ' LEU . 3.5 mt -98.28 -65.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . . . -39.72 123.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.2 -37.77 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.5 mttm -78.62 157.6 28.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.402 ' HG2' ' CD ' ' A' ' 23' ' ' LYS . 19.3 mt-10 -129.83 155.07 81.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.53 -13.36 2.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.646 HD22 ' SG ' ' A' ' 107' ' ' CYS . 20.8 tp -51.91 -64.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 11.2 tt0 -54.46 -32.99 58.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -63.71 -50.5 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.629 ' HB3' HG22 ' A' ' 110' ' ' ILE . 18.6 t -60.86 -46.35 90.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' ALA . 19.5 t80 -51.09 -53.92 29.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.474 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -50.48 -47.49 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -49.87 -53.87 23.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.985 ' CD2' HD13 ' A' ' 45' ' ' LEU . 47.5 m-85 -72.33 -25.68 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -71.16 -47.54 57.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 pt -87.43 12.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 38.2 t-80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.606 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -113.59 -14.28 12.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -133.54 150.21 51.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ILE . 21.8 ttm -138.25 117.27 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.4 m-20 -74.28 143.33 45.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.583 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.84 -35.92 13.06 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -32.94 74.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' ASN . 48.0 m-20 -85.49 -35.74 20.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.821 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.6 t-105 -65.61 -60.45 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.74 -48.78 66.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.22 -48.99 79.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.985 HD13 ' CD2' ' A' ' 24' ' ' PHE . 10.9 tp -57.17 -30.61 64.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' ALA . 81.2 m -84.21 5.13 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.341 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.813 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -113.95 -54.6 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -32.44 70.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 92.0 m -91.01 15.75 10.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.87 51.12 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.5 t -95.12 -28.58 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.813 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -110.56 80.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -53.72 -35.27 60.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.955 ' O ' HG22 ' A' ' 58' ' ' THR . . . 112.02 -33.62 5.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -74.49 -75.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.683 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -64.65 -41.23 96.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.421 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 3.1 t -119.49 122.37 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.955 HG22 ' O ' ' A' ' 54' ' ' GLY . 69.7 p -112.35 142.28 45.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.551 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -44.21 -23.98 0.52 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.481 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -72.63 -35.47 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -74.66 -50.1 18.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.87 HG23 HD11 ' A' ' 89' ' ' LEU . 4.6 p -60.54 -37.03 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.68 -42.14 98.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 60' ' ' THR . 28.7 mt -71.78 -47.36 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.4 t -54.18 -47.46 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.6 t80 -59.51 -33.06 70.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 t -91.53 -5.55 53.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.533 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.1 -22.67 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 65' ' ' VAL . 23.6 m -87.46 -34.28 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 66' ' ' PHE . 1.1 pttp -91.09 -160.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.49 179.3 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.91 -11.71 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.1 -74.93 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.9 151.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -2.09 8.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.6 160.94 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.9 pt -120.52 154.73 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -107.15 159.94 15.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.7 t80 -41.75 -28.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -73.12 -48.68 33.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 78' ' ' ASN . 49.4 mt-10 -77.28 -16.67 58.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.699 ' CE2' HD11 ' A' ' 86' ' ' LEU . 11.8 t80 -82.36 -32.81 29.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -72.07 -29.61 64.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -62.52 -55.24 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.598 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -50.32 -48.03 55.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.699 HD11 ' CE2' ' A' ' 82' ' ' PHE . 97.5 mt -53.81 -39.8 65.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.579 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.6 mt-10 -63.32 -36.27 83.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 56.1 mm-40 -76.88 -26.36 54.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.87 HD11 HG23 ' A' ' 62' ' ' VAL . 61.1 mt -98.68 -0.61 42.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -77.56 -57.74 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.1 p -76.81 -21.77 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.374 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.683 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 23.6 mtpt -82.01 -21.66 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 19.9 tpt85 -97.19 -66.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.896 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 72.9 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 10.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -60.17 -42.07 94.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.9 mt-10 -73.94 -53.39 10.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 105' ' ' ALA . 1.2 mt-10 -58.5 -52.07 67.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -54.89 -41.58 71.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.579 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 80.1 t80 -75.19 -29.6 60.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.2 OUTLIER -79.55 -22.19 44.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -81.13 -33.3 33.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.576 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.8 tt -78.48 -32.12 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.646 ' SG ' HD22 ' A' ' 17' ' ' LEU . 84.9 m -68.81 -36.1 77.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 108.294 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -67.17 -15.34 63.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 106' ' ' ILE . 77.4 mt -83.05 -39.04 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.629 HG22 ' HB3' ' A' ' 20' ' ' SER . 6.6 mt -87.02 -66.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.04 125.55 1.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.11 -40.04 2.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -75.17 164.72 26.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.89 156.71 35.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.554 1.818 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 165.02 -28.63 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.615 HD22 ' SG ' ' A' ' 107' ' ' CYS . 45.4 tp -57.21 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 7.2 tt0 -48.19 -24.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -73.92 -34.19 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.92 -44.21 15.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' ALA . 33.1 t80 -50.04 -52.62 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.462 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -52.0 -47.45 64.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -50.26 -48.67 54.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.857 ' CD1' HD13 ' A' ' 45' ' ' LEU . 39.9 m-85 -76.54 -26.83 55.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -71.13 -47.98 54.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pt -93.45 16.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 27' ' ' HIS . 1.8 t-80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.628 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -110.46 -4.59 15.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.15 152.68 38.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ILE . 13.0 ttm -145.47 120.35 9.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 41' ' ' ASN . 2.0 m-20 -73.64 143.35 46.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.575 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -46.44 -39.63 10.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -63.25 -37.19 86.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASN . 38.7 m-20 -82.05 -6.74 59.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.776 ' HE1' HG22 ' A' ' 62' ' ' VAL . 3.3 t-105 -96.47 -62.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 108.01 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.02 -44.2 67.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -61.33 -46.89 88.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.857 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.3 tp -55.28 -28.56 54.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.507 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 66.3 m -77.24 -54.04 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.708 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -58.75 -36.54 74.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -30.93 64.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 66.4 m -99.79 15.51 26.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' CYS . 6.4 mmtm 43.71 47.17 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.9 t -90.69 -35.63 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.708 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -102.01 66.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -40.67 -37.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.854 ' O ' HG22 ' A' ' 58' ' ' THR . . . 115.08 -35.06 4.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -75.12 -76.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.89 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -67.05 -34.21 77.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 52' ' ' ALA . 25.5 t -123.19 117.64 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.854 HG22 ' O ' ' A' ' 54' ' ' GLY . 61.0 p -107.37 141.33 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.465 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -43.91 -24.99 0.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 64' ' ' ILE . 2.8 m -76.03 -38.82 56.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.743 . . . . 0.0 110.426 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.1 m-20 -67.8 -46.65 71.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.801 HG23 HD11 ' A' ' 89' ' ' LEU . 10.5 p -64.31 -44.82 97.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -52.98 60.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 60' ' ' THR . 16.9 mt -58.71 -47.17 89.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.528 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 5.0 t -53.64 -47.02 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 13.4 t80 -59.62 -33.51 71.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.94 -3.96 56.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -19.6 19.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -95.96 -21.13 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 71' ' ' ALA . 0.3 OUTLIER -104.32 -173.92 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' O ' ' CE ' ' A' ' 70' ' ' LYS . . . -108.18 -166.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -16.44 28.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.08 -60.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.29 149.16 5.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.75 7.96 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.39 155.47 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' MET . 1.4 pt -116.61 153.66 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 81' ' ' GLU . 3.7 m120 -103.92 158.29 16.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 19.7 t80 -39.98 -37.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.67 -48.6 74.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' ASN . 95.7 mt-10 -74.81 -14.01 60.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.667 ' CE2' HD11 ' A' ' 86' ' ' LEU . 39.4 t80 -82.11 -37.57 26.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -68.48 -30.29 69.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -60.34 -58.05 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -49.5 -47.36 48.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.667 HD11 ' CE2' ' A' ' 82' ' ' PHE . 82.9 mt -53.24 -40.07 64.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.577 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.9 mt-10 -64.62 -37.18 86.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -76.71 -27.44 55.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.801 HD11 HG23 ' A' ' 62' ' ' VAL . 48.1 mt -98.16 -0.2 44.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.539 ' HB1' ' C ' ' A' ' 102' ' ' ALA . . . -75.75 -57.3 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.8 p -74.33 -21.66 59.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.89 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 8.6 mtpt -84.22 -22.95 30.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 21.0 tpt85 -89.1 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.719 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 90.0 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -59.22 -48.25 82.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 104' ' ' ASP . 21.8 mt-10 -77.37 -44.79 28.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.12 -52.84 63.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.539 ' C ' ' HB1' ' A' ' 90' ' ' ALA . . . -59.99 -28.66 67.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.652 ' O ' HG22 ' A' ' 106' ' ' ILE . 82.1 t80 -82.85 -35.99 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.2 OUTLIER -77.33 -27.39 52.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.719 ' HB1' ' CZ ' ' A' ' 94' ' ' PHE . . . -75.47 -35.34 60.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 103' ' ' PHE . 5.8 tt -73.05 -28.02 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.615 ' SG ' HD22 ' A' ' 17' ' ' LEU . 35.2 m -73.69 -28.0 61.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 108.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.04 -8.23 53.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 106' ' ' ILE . 19.6 mt -93.8 -16.73 23.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLY . 4.7 mt -113.76 -59.77 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -44.83 96.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 124.25 -42.31 1.58 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -69.66 157.57 37.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -134.98 155.0 79.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.544 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.45 -20.75 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 111' ' ' ALA . 60.4 tp -59.27 -77.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 4.5 tt0 -47.39 -27.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -71.17 -36.03 71.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.476 ' OG ' HG22 ' A' ' 110' ' ' ILE . 1.1 p -80.7 -46.78 15.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 25' ' ' ALA . 32.3 t80 -49.61 -52.81 27.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -44.39 37.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -57.46 -44.98 85.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.856 ' CD2' HD13 ' A' ' 45' ' ' LEU . 37.3 m-85 -77.04 -22.85 52.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -78.92 -47.17 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 pt -90.66 22.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.617 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -115.98 -3.58 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -140.3 144.94 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.1 ttm -136.62 116.12 12.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.91 143.9 45.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.584 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -50.47 -36.59 31.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -27.75 68.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -91.69 -38.87 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.834 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.7 t-105 -62.78 -69.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.36 -55.02 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -56.28 -40.99 75.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.856 HD13 ' CD2' ' A' ' 24' ' ' PHE . 10.4 tp -63.12 -26.95 69.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 70.8 m -79.75 -11.33 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -105.19 -49.64 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -33.35 64.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.451 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 53.6 m -94.15 16.25 15.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 108.257 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mptt 45.72 40.69 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.1 t -79.47 -38.84 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB3' ' CE ' ' A' ' 47' ' ' LYS . . . -96.81 -174.85 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -170.84 -42.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.753 ' O ' HG22 ' A' ' 58' ' ' THR . . . 124.6 -21.47 6.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -83.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.766 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -62.04 -40.21 94.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.89 121.42 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.753 HG22 ' O ' ' A' ' 54' ' ' GLY . 70.6 p -103.4 140.08 37.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -49.24 -21.37 2.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 m -78.53 -29.28 46.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -73.84 -46.06 47.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.834 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.4 p -61.05 -36.59 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.95 -39.15 87.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.455 HG22 ' CD ' ' A' ' 68' ' ' LYS . 44.3 mt -71.75 -50.49 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.505 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.6 t -54.0 -49.1 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 33.2 t80 -54.86 -27.8 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.446 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 1.4 t -89.61 -23.81 21.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' CD ' HG22 ' A' ' 64' ' ' ILE . 12.0 mtpt -75.93 -39.45 56.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 70' ' ' LYS . 14.7 m -71.1 -49.84 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' HG23 ' A' ' 69' ' ' VAL . 5.4 pttp -74.18 176.52 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -106.75 169.71 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -10.71 53.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.4 t -98.85 -65.18 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.05 148.46 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -29.43 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.2 m -106.3 178.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.8 pt -130.78 141.32 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -91.98 158.34 16.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 13.2 t80 -38.97 -62.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -49.64 -34.16 17.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' ASN . 50.1 mt-10 -82.66 -21.9 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 6.6 t80 -81.07 -25.7 36.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.515 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 4.3 mtmt -74.22 -33.14 63.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -56.57 -48.29 77.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.704 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -56.1 -47.99 77.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.758 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 88.7 mt -55.29 -36.31 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' OE2' ' CE ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.23 -31.15 69.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -84.44 -29.01 26.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.668 HD11 HG23 ' A' ' 62' ' ' VAL . 50.5 mt -99.11 1.46 45.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -74.73 -55.93 5.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.5 p -77.04 -20.16 56.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.766 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 8.8 mtpt -86.21 -15.97 39.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 35.3 tpt85 -97.65 -66.72 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.762 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 67.2 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.452 ' CE ' ' OE2' ' A' ' 87' ' ' GLU . 5.6 tttm -78.89 -49.1 13.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.41 -45.27 26.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.66 -51.25 67.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -58.08 -55.85 29.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.635 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.6 OUTLIER -54.8 -43.59 73.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -21.8 63.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.762 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -84.94 -30.53 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 103' ' ' PHE . 1.8 tt -79.51 -27.38 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 24.7 m -72.49 -23.42 61.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.37 -15.19 53.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 106' ' ' ILE . 65.9 mt -83.99 -29.21 27.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.476 HG22 ' OG ' ' A' ' 20' ' ' SER . 4.9 mt -100.38 -61.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -43.59 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 122.51 -44.74 1.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -65.29 172.39 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -146.62 157.35 48.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.83 -9.86 3.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.59 ' HA ' ' HB2' ' A' ' 111' ' ' ALA . 28.9 tp -46.84 -68.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.512 ' CG ' ' CE1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -54.44 -31.44 55.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -54.31 48.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.781 ' OG ' HG22 ' A' ' 110' ' ' ILE . 9.2 p -61.39 -46.69 89.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -49.86 -53.18 27.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -44.92 62.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -55.17 -51.24 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.052 ' CD1' HD13 ' A' ' 45' ' ' LEU . 28.4 m-85 -69.14 -31.74 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -62.06 -47.58 84.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.491 HG23 ' HA2' ' A' ' 34' ' ' GLY . 10.6 pt -89.44 12.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 20.2 t-80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.55 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.491 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -113.23 -4.96 13.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 3.5 mt-10 -133.91 150.48 51.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.4 ttm -133.25 115.71 15.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' HA ' HG12 ' A' ' 76' ' ' VAL . 1.5 m-20 -74.2 143.6 45.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.648 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.86 -22.41 2.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -76.32 -34.76 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ASN . 98.2 m-20 -87.11 -25.67 24.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.902 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.2 t-105 -71.64 -63.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.023 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.04 -43.98 67.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.04 87.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.052 HD13 ' CD1' ' A' ' 24' ' ' PHE . 16.1 tp -63.23 -28.77 70.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.561 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 24.2 m -92.62 30.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 108.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -142.32 -54.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -33.62 76.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.0 m -79.67 -1.37 37.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.92 40.49 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.7 t -90.49 -40.19 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -103.32 97.89 7.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.25 -32.99 65.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.736 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.79 -24.37 12.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.76 -80.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -57.67 -36.61 72.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 t -127.65 119.0 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.736 HG22 ' O ' ' A' ' 54' ' ' GLY . 77.2 p -106.1 141.34 37.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.413 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -47.77 -21.89 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.659 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -75.13 -28.91 60.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.38 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -79.2 -50.06 11.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.902 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -58.38 -33.56 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -68.15 -48.96 63.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 60' ' ' THR . 16.8 mt -63.2 -46.57 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.717 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.9 t -56.34 -49.88 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.648 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 5.3 t80 -57.27 -29.13 63.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -87.93 -23.76 23.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -29.43 32.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 65' ' ' VAL . 12.1 m -82.31 -33.75 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -87.96 167.97 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 72' ' ' LYS . . . -103.17 141.11 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 71' ' ' ALA . 21.9 tttm -39.84 -37.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -70.93 -58.49 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.72 145.76 55.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -23.3 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 38' ' ' ASN . 1.2 m -108.34 174.23 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 2.8 pt -125.02 150.9 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.491 ' OD1' ' CG ' ' A' ' 81' ' ' GLU . 8.4 p30 -105.13 159.34 15.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' CE1' ' CG ' ' A' ' 18' ' ' GLU . 16.7 t80 -38.35 -54.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -48.79 -41.94 34.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.491 ' CG ' ' OD1' ' A' ' 78' ' ' ASN . 67.6 mt-10 -74.63 -37.28 62.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 86' ' ' LEU . 68.9 t80 -57.37 -33.09 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 3.1 mtmt -77.7 -26.37 50.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -42.24 77.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.667 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -71.8 -41.16 68.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 82' ' ' PHE . 16.0 mt -57.64 -43.19 84.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.546 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.7 mt-10 -60.65 -46.02 91.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -64.62 -28.59 69.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.832 HD11 HG23 ' A' ' 62' ' ' VAL . 62.6 mt -99.52 2.52 44.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.46 -57.48 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.8 p -77.9 -30.31 50.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.79 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.3 mtpt -70.57 -29.55 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 41.3 tpt85 -87.71 -62.34 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.942 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 52.5 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.0 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -58.99 -43.38 91.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.19 -53.01 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.27 -52.66 63.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -53.98 -49.17 69.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 56.9 t80 -65.32 -38.53 90.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -21.31 63.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.942 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -85.44 -34.49 21.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.502 ' HA ' HD12 ' A' ' 109' ' ' LEU . 3.2 tt -80.38 -32.5 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.467 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 89.4 m -69.82 -31.91 70.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -73.98 -19.05 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 106' ' ' ILE . 65.3 mt -75.58 -44.49 42.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.781 HG22 ' OG ' ' A' ' 20' ' ' SER . 5.3 mt -83.11 -68.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 17' ' ' LEU . . . -39.94 117.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.12 -37.81 3.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -75.01 175.2 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -141.25 154.6 67.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.405 ' C ' ' HA ' ' A' ' 111' ' ' ALA . . . 161.02 -26.26 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.652 HD22 ' SG ' ' A' ' 107' ' ' CYS . 54.9 tp -59.01 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 21.3 tt0 -47.2 -24.58 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -69.61 -48.15 61.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -38.13 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' ALA . 32.1 t80 -51.5 -57.14 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.571 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -50.28 -45.81 54.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -49.62 -50.59 42.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.731 ' CD1' HD13 ' A' ' 45' ' ' LEU . 40.9 m-85 -77.69 -24.48 49.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -73.12 -38.52 66.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 pt -83.88 8.64 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.662 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -129.74 6.1 5.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.546 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 3.2 mp0 -137.17 141.79 42.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.657 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 35.7 ttm -137.26 116.25 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -73.86 144.41 45.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -47.66 -37.66 14.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -30.68 71.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ASN . 83.2 m-20 -89.8 -36.93 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.907 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.7 t-105 -62.47 -48.87 77.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' SG ' ' A' ' 46' ' ' CYS . . . -66.68 -54.83 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -28.67 16.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.731 HD13 ' CD1' ' A' ' 24' ' ' PHE . 12.6 tp -78.33 -27.32 47.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -80.57 -10.83 59.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 108.279 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -104.86 -44.45 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -36.98 82.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' CB ' ' A' ' 113' ' ' LYS . 50.5 m -87.29 -12.23 47.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 0.6 OUTLIER 72.08 41.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.6 t -84.2 -41.6 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . . . -94.21 66.6 3.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 3.5 p-10 -40.61 -31.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 58' ' ' THR . . . 106.17 -20.98 34.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -84.11 -83.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.845 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.15 -26.71 67.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 52' ' ' ALA . 7.1 t -128.01 119.67 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 54' ' ' GLY . 25.2 p -108.25 142.0 39.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.438 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -48.12 -21.53 1.82 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.486 ' O ' HD12 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -74.88 -27.27 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -79.58 -49.83 11.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.907 HG22 ' NE1' ' A' ' 42' ' ' TRP . 3.8 p -56.82 -36.39 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -39.51 82.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.667 HG22 ' HD2' ' A' ' 68' ' ' LYS . 41.6 mt -70.87 -50.87 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.4 t -56.11 -48.35 79.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 32.5 t80 -54.4 -27.24 35.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.48 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -86.98 -22.97 25.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.667 ' HD2' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -80.13 -39.72 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 65' ' ' VAL . 11.6 m -68.6 -28.09 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 26.5 pttt -102.84 179.43 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -107.32 -175.51 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -81.9 -4.61 56.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.58 -76.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.08 148.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.41 -7.98 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.63 170.66 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.9 pt -124.21 152.66 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -102.85 158.18 16.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 14.1 t80 -38.44 -38.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.41 -48.89 71.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' ASN . 96.0 mt-10 -72.71 -17.04 61.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.443 ' HE1' HD23 ' A' ' 45' ' ' LEU . 32.6 t80 -80.76 -37.7 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -73.35 -26.91 61.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -62.47 -48.38 79.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.585 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -60.09 -44.35 94.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.725 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 60.9 mt -55.39 -34.2 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.575 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.2 mt-10 -69.63 -41.94 74.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -73.48 -27.68 61.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.662 ' CD1' HG23 ' A' ' 62' ' ' VAL . 57.8 mt -97.62 -4.59 37.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -72.67 -55.91 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.3 p -73.73 -20.96 60.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.845 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 18.6 mtpt -86.32 -25.05 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 10.1 tpt180 -83.18 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.911 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.0 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -50.7 -43.14 57.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.25 -50.78 15.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.34 -52.0 64.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.95 -46.18 82.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 82.9 t80 -63.05 -40.87 98.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -23.66 62.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.911 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -78.37 -40.42 36.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.609 ' HA ' HD12 ' A' ' 109' ' ' LEU . 8.9 tt -74.85 -28.39 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.652 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.3 m -69.57 -29.21 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.81 -11.8 59.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 106' ' ' ILE . 72.7 mt -85.32 -19.24 31.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.6 mt -112.24 -49.06 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.405 ' HA ' ' C ' ' A' ' 16' ' ' GLY . . . -47.57 96.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 122.07 -36.52 3.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.48 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -58.48 168.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.59 144.67 10.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.39 -15.0 2.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.9 tp -49.61 -74.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.08 -36.31 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -59.98 -45.8 91.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.696 ' HB2' HG22 ' A' ' 110' ' ' ILE . 16.0 m -65.6 -50.26 65.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' ALA . 24.2 t80 -50.15 -52.62 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -49.46 -44.89 46.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.318 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -56.34 -55.18 36.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.866 ' CD1' HD13 ' A' ' 45' ' ' LEU . 40.1 m-85 -66.36 -27.27 67.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -74.06 -47.53 36.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 22' ' ' ARG . 2.4 pt -89.7 9.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -100.57 -9.66 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.8 mt-10 -138.6 147.55 43.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 24' ' ' PHE . 6.9 ttm -135.66 124.02 23.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 2.8 p30 -79.33 143.47 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.615 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -52.66 -19.51 6.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -73.64 -36.58 65.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 1.3 m120 -87.54 -38.28 16.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.93 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.6 t-105 -56.67 -61.05 2.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.59 -51.82 52.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -55.8 -40.27 72.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.866 HD13 ' CD1' ' A' ' 24' ' ' PHE . 12.3 tp -65.75 -27.65 68.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 52' ' ' ALA . 56.2 m -88.43 11.25 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.647 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -125.0 -44.04 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -29.49 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 66.7 m -90.98 16.08 10.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.19 43.65 22.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -88.09 -40.35 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.647 ' HB3' ' CE ' ' A' ' 47' ' ' LYS . . . -107.17 91.27 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.43 -36.58 84.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.576 ' O ' HG22 ' A' ' 58' ' ' THR . . . 117.75 -34.58 4.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -80.77 -79.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 0.722 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.17 -40.28 67.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.843 HG13 ' CG ' ' A' ' 61' ' ' ASP . 7.2 t -127.24 141.79 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 54' ' ' GLY . 22.4 p -120.21 143.52 48.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.673 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.41 -23.83 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 58' ' ' THR . 19.5 m -73.49 -24.72 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.999 ' OD2' HD22 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -74.4 -39.51 62.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.93 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.9 p -73.19 -32.39 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -47.77 65.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.2 mt -61.73 -52.3 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.578 HG22 ' HE3' ' A' ' 68' ' ' LYS . 6.6 t -55.61 -46.0 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.615 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 35.7 t80 -60.41 -28.7 68.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.431 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -95.85 -2.25 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -99.68 -29.0 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 65' ' ' VAL . 16.5 m -83.05 -45.4 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.0 pttt -72.1 -167.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -128.08 155.4 44.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -21.41 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 t -88.12 -61.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 147.53 39.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -114.59 -26.74 7.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 m -104.39 162.59 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.6 pt -115.76 156.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -112.02 156.68 21.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -37.9 -47.27 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -55.04 -48.91 72.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' ASN . 44.7 mm-40 -73.33 -43.55 60.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.649 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 20.1 t80 -54.02 -49.17 69.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -64.23 -26.97 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -45.84 79.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.498 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -60.48 -46.95 88.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 79.2 mt -54.2 -39.15 66.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 9.1 mm-40 -63.64 -36.8 85.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -74.04 -29.72 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.999 HD22 ' OD2' ' A' ' 61' ' ' ASP . 15.8 mt -94.9 -5.98 43.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -61.99 -54.55 40.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.6 p -76.24 -46.17 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -56.19 -20.53 18.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 31.3 tpt85 -98.82 -53.33 3.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.916 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 79.0 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 10.5 tttt -57.42 -41.62 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.64 -52.25 10.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.17 -51.71 65.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.446 ' HB1' ' C ' ' A' ' 90' ' ' ALA . . . -58.39 -57.01 14.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.595 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 71.4 t80 -55.31 -40.76 71.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.73 -27.83 69.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.916 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -80.31 -57.22 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.564 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.0 tt -55.16 -37.8 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 37.0 m -65.38 -39.92 92.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -62.75 -25.58 68.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 106' ' ' ILE . 64.4 mt -72.16 -34.45 68.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.696 HG22 ' HB2' ' A' ' 20' ' ' SER . 9.0 mt -88.87 -65.72 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.73 117.34 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.59 -42.22 1.96 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.4 mttm -71.28 150.13 45.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -125.12 158.52 63.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.577 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.36 -23.94 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD22 ' SG ' ' A' ' 107' ' ' CYS . 56.9 tp -58.32 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 15.6 tt0 -47.34 -30.31 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 110.296 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -68.35 -46.56 69.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -68.98 -43.7 74.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' ALA . 24.3 t80 -50.06 -54.33 21.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.442 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -52.71 -44.3 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 28.0 mttt -52.09 -56.2 15.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.653 ' CD1' HD13 ' A' ' 45' ' ' LEU . 41.4 m-85 -70.47 -27.23 64.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -68.34 -47.45 67.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 pt -89.64 16.35 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.617 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -102.91 -10.43 19.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.26 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 3.5 mt-10 -136.73 148.54 47.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.519 ' HE1' ' HB3' ' A' ' 24' ' ' PHE . 23.9 ttm -136.69 121.33 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.51 143.93 46.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.582 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -48.99 -35.62 18.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -62.9 -34.41 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.356 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.49 -35.99 22.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.87 ' NE1' HG22 ' A' ' 62' ' ' VAL . 7.5 t-105 -62.64 -60.22 3.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 108.025 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.74 70.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -55.19 -52.87 61.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' A' ' 24' ' ' PHE . 7.1 tp -47.75 -42.4 25.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.461 ' O ' HG23 ' A' ' 51' ' ' VAL . 53.5 m -62.5 -60.35 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 108.265 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 50' ' ' LYS . 39.1 tttt -46.06 -59.8 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -33.46 60.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.519 ' SG ' HD12 ' A' ' 45' ' ' LEU . 41.0 m -90.19 16.01 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.283 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 mptp? 41.07 41.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.478 HG23 ' HB2' ' A' ' 49' ' ' CYS . 3.5 t -88.89 -39.37 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.82 87.94 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' OD2' ' NE ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -73.88 -27.54 61.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 1.002 ' O ' HG22 ' A' ' 58' ' ' THR . . . 111.64 -36.01 4.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.533 1.145 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -76.64 -78.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -62.08 -35.36 78.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' GLY . 11.3 t -131.38 119.37 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 1.002 HG22 ' O ' ' A' ' 54' ' ' GLY . 52.3 p -103.27 140.95 36.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.434 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.91 -22.16 1.92 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -77.62 -32.61 53.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.794 . . . . 0.0 110.389 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -73.27 -46.98 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.87 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -60.76 -37.26 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -64.78 -48.19 75.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.8 mt -61.51 -50.85 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.2 t -54.85 -49.22 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 13.6 t80 -55.87 -30.9 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.482 ' HA ' ' CE ' ' A' ' 70' ' ' LYS . 3.0 t -89.18 -10.22 47.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -95.89 -21.78 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 65' ' ' VAL . 10.5 m -88.34 -33.44 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.533 ' HB3' HG22 ' A' ' 77' ' ' ILE . 9.7 pttt -82.05 -176.65 6.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.64 -154.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -76.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.97 -72.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 47.43 -137.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 168.24 -29.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.69 164.35 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.533 HG22 ' HB3' ' A' ' 70' ' ' LYS . 2.2 pt -127.4 155.85 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.4 159.24 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.4 t80 -44.42 -48.26 9.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -54.44 -48.74 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.14 -37.92 72.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.411 ' HB2' HD12 ' A' ' 77' ' ' ILE . 16.8 t80 -56.45 -51.08 69.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -64.56 -26.37 68.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -41.43 97.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.514 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -67.75 -42.8 81.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ALA . 32.7 mt -55.1 -45.25 75.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.574 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 2.4 mm-40 -57.49 -41.34 80.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 58.4 mm-40 -70.61 -32.54 69.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.788 HD11 HG23 ' A' ' 62' ' ' VAL . 62.8 mt -91.38 -0.09 57.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -77.06 -52.39 9.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 p -76.97 -23.74 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.64 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 8.7 mtpp -82.25 -28.91 31.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 5.8 tpt180 -83.43 -65.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.947 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.0 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -48.54 -46.9 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.54 -50.31 46.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.43 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 8.2 mm-40 -55.79 -51.57 66.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -52.31 66.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 67.9 t80 -55.66 -42.59 75.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -22.63 62.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.947 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -81.48 -40.45 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.877 ' HA ' HD12 ' A' ' 109' ' ' LEU . 8.3 tt -76.31 -30.53 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.446 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.1 m -69.48 -34.23 74.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.13 . . . . 0.0 108.337 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.77 -19.77 65.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 106' ' ' ILE . 13.1 mt -77.92 -40.13 40.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' ALA . 4.9 mt -88.89 -66.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.32 109.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.99 -40.87 2.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.6 OUTLIER -69.89 169.72 12.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 1.4 pm0 -151.56 149.65 24.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 23' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 166.78 -29.8 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.797 HD22 ' SG ' ' A' ' 107' ' ' CYS . 15.4 tp -52.48 -73.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.793 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 29.7 tt0 -47.6 -25.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -76.52 -36.94 57.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.729 ' HB3' HG22 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -77.17 -43.38 34.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -49.92 -53.59 25.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -45.72 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 25.1 mttt -54.23 -55.94 23.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 1.061 ' CD2' HD13 ' A' ' 45' ' ' LEU . 44.1 m-85 -66.4 -24.56 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' CA ' ' HE3' ' A' ' 37' ' ' MET . . . -75.86 -47.38 25.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' HIS . 4.0 pt -90.42 9.85 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ILE . 6.7 t-80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.573 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -107.77 -4.54 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.42 146.52 38.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.475 ' HE3' ' CA ' ' A' ' 25' ' ' ALA . 23.5 ttm -137.56 116.27 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -73.22 143.57 47.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.649 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.37 -28.78 6.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -42.12 67.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -79.9 -17.19 53.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.832 ' NE1' HG22 ' A' ' 62' ' ' VAL . 2.6 t-105 -80.62 -53.88 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.059 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.71 68.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -54.35 -37.83 65.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.061 HD13 ' CD2' ' A' ' 24' ' ' PHE . 10.5 tp -68.46 -26.59 65.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.512 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 57.2 m -94.61 24.08 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -132.38 -62.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.01 -40.05 75.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.534 ' SG ' ' CZ ' ' A' ' 24' ' ' PHE . 64.9 m -70.62 -6.81 39.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.358 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 69.94 43.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.489 HG13 HG13 ' A' ' 106' ' ' ILE . 2.1 t -91.68 -41.12 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -96.88 178.09 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -159.37 -44.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.853 ' O ' HG22 ' A' ' 58' ' ' THR . . . 123.21 -21.96 7.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -84.97 -77.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.97 72.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.1 t -121.45 118.36 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.853 HG22 ' O ' ' A' ' 54' ' ' GLY . 45.4 p -103.63 141.86 35.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.56 -22.04 1.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.4 m -79.2 -32.14 43.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.9 m-20 -72.54 -45.59 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.855 HG23 HD11 ' A' ' 89' ' ' LEU . 9.6 p -62.5 -43.88 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -44.2 74.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 60' ' ' THR . 23.6 mt -67.31 -45.69 85.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.517 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.8 t -56.28 -43.31 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.649 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 10.2 t80 -62.7 -33.78 75.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 t -90.01 -4.6 57.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.496 ' CE ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -94.17 -20.98 19.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -96.71 -24.65 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.88 -179.54 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -120.43 147.65 44.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -40.89 -29.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 71' ' ' ALA . 2.9 t -72.27 -69.25 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.0 148.81 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.14 -8.03 11.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.1 m -129.45 173.44 13.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.783 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.7 pt -127.52 155.28 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.07 160.16 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 21.3 t80 -48.21 -22.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.29 -48.15 24.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -81.75 -24.36 36.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.783 ' HB2' HD12 ' A' ' 77' ' ' ILE . 7.4 t80 -72.49 -26.8 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -77.42 -28.2 52.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -67.91 -47.08 69.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.564 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -54.7 -48.35 72.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.599 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 96.7 mt -54.71 -43.77 72.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.598 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 3.6 mt-10 -57.55 -35.05 69.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 63.6 mm-40 -74.5 -32.65 62.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.855 HD11 HG23 ' A' ' 62' ' ' VAL . 47.2 mt -92.02 -2.34 56.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.8 -57.18 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 p -77.68 -19.37 55.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 88' ' ' GLU . 30.6 mtpt -83.79 -26.96 29.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 31.4 tpt85 -93.03 -64.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.953 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 87.1 m-85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 27.6 tttt -64.06 -45.82 87.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.69 -45.35 29.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.58 -51.53 66.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.88 63.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 31.0 t80 -56.68 -38.76 72.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 108' ' ' GLN . 0.1 OUTLIER -65.08 -21.92 66.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.953 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -86.34 -52.3 5.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.516 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . 5.1 tt -57.74 -40.8 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.797 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.8 m -57.75 -44.69 86.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 108.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 3.0 mm-40 -49.83 -49.97 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.516 ' CD2' ' HA ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -47.14 -45.07 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.729 HG22 ' HB3' ' A' ' 20' ' ' SER . 3.0 mt -85.69 -73.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 107' ' ' CYS . . . -37.12 121.0 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 100.59 -37.15 3.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -78.25 -173.86 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.798 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -156.26 158.12 31.41 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.88 -15.53 1.96 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.127 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 111' ' ' ALA . 60.3 tp -51.99 -70.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -49.74 -26.19 3.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -75.27 -29.92 60.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 52.9 m -83.19 -47.52 11.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ALA . 6.7 t80 -51.89 -51.17 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 2.3 ttm180 -48.78 -48.36 41.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 45.4 mttt -49.42 -42.83 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.795 ' CD1' HD13 ' A' ' 45' ' ' LEU . 45.8 m-85 -82.25 -27.22 32.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -68.69 -47.74 65.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 12.4 pt -93.7 14.63 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 10.9 t-80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.618 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -115.46 -8.62 12.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.773 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 1.9 mp0 -146.55 153.03 39.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' ILE . 27.8 ttm -138.83 119.73 14.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.484 ' HA ' HG12 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -74.86 143.99 43.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.593 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.54 -37.96 13.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -65.47 -33.33 75.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' ASN . 37.6 m-20 -88.58 -9.16 53.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.818 ' NE1' HG22 ' A' ' 62' ' ' VAL . 3.7 t-105 -95.66 -57.05 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.02 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.84 82.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -60.97 -41.39 96.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.795 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.1 tp -60.01 -30.67 69.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.468 ' O ' HG23 ' A' ' 51' ' ' VAL . 59.9 m -71.59 -59.19 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.75 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -53.83 -48.29 70.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.47 -38.24 77.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HB2' HG23 ' A' ' 51' ' ' VAL . 56.3 m -90.59 12.88 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 46.69 43.27 12.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 46' ' ' CYS . 5.3 t -86.63 -41.26 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.75 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -101.73 78.86 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.98 -30.14 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.815 ' O ' HG22 ' A' ' 58' ' ' THR . . . 115.54 -34.84 4.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -88.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.767 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -55.04 -36.87 66.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.507 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 10.2 t -123.91 131.13 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.815 HG22 ' O ' ' A' ' 54' ' ' GLY . 40.7 p -116.05 140.87 48.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.389 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.497 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.68 -22.78 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -75.91 -31.6 59.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.1 m-20 -71.77 -47.79 51.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.818 HG22 ' NE1' ' A' ' 42' ' ' TRP . 3.9 p -61.57 -38.41 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -42.04 97.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.33 -50.36 46.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.502 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 6.0 t -52.84 -48.07 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.593 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 18.5 t80 -59.7 -31.59 69.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.44 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -95.65 3.55 53.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.04 -34.32 7.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.97 -20.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.44 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 8.3 pttt -101.87 -163.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.87 166.4 17.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -14.91 38.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.06 -76.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.42 145.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 ptt-85 -113.06 -10.53 13.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 38' ' ' ASN . 2.5 m -123.25 168.5 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.548 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.8 pt -120.4 148.58 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' GLU . 1.8 m120 -104.72 159.95 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.8 t80 -47.08 -25.07 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -75.13 -36.63 61.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' ASN . 48.7 mt-10 -90.65 -28.87 18.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.548 ' HB2' HD12 ' A' ' 77' ' ' ILE . 5.6 t80 -69.02 -26.42 64.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -77.37 -28.4 52.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -67.86 -43.63 79.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.502 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -58.3 -48.01 81.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 90.2 mt -55.46 -38.02 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 8.9 mt-10 -63.69 -39.86 95.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.427 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 29.8 mm-40 -71.93 -32.11 67.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.626 HD11 HG23 ' A' ' 62' ' ' VAL . 21.3 mt -91.21 -6.11 53.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -64.29 -54.97 24.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.4 p -78.17 -36.38 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.624 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 26.8 mtpt -68.2 -10.24 52.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 43.3 tpt85 -105.88 -57.99 1.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.568 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 86.3 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.3 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' NZ ' ' OE2' ' A' ' 87' ' ' GLU . 5.1 tttm -65.29 -42.78 92.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.21 -51.26 12.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -55.29 -52.41 63.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -57.37 -55.63 32.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 67.5 t80 -54.4 -39.04 66.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -31.39 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -76.66 -36.14 57.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.603 ' HA ' HD12 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -80.55 -37.19 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 21.3 m -61.53 -26.25 67.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 108.298 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -76.96 -25.55 52.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 106' ' ' ILE . 49.4 mt -67.0 -19.17 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.1 mt -108.54 -66.4 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . . . -39.15 106.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.2 -40.68 2.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.9 mttt -72.17 170.55 13.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.29 150.99 26.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.43 -16.14 1.86 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.561 HD22 ' SG ' ' A' ' 107' ' ' CYS . 28.3 tp -54.63 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.743 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 3.2 tt0 -48.59 -29.39 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -69.15 -48.62 61.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.451 ' HB2' HG22 ' A' ' 110' ' ' ILE . 54.0 m -66.25 -36.88 84.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -56.96 -53.11 61.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -49.84 -42.26 46.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -49.63 -55.14 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.923 ' CD1' HD13 ' A' ' 45' ' ' LEU . 62.4 m-85 -71.85 -29.42 64.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -66.78 -47.62 71.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' HIS . 4.5 pt -92.15 13.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ILE . 15.1 t-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -110.79 -1.36 16.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.433 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.7 mt-10 -144.63 152.01 39.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.507 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 30.5 ttm -143.47 129.97 20.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -81.72 143.58 31.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -47.12 -32.59 6.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -37.49 85.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.724 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ASN . 9.1 m-20 -81.96 -28.29 32.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.86 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.2 t-105 -72.06 -58.82 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 107.97 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.33 -48.93 75.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -58.52 -44.13 89.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.923 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.3 tp -57.09 -31.39 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 57.8 m -74.32 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.659 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -54.74 -43.1 72.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 -36.93 85.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' SG ' HD12 ' A' ' 45' ' ' LEU . 66.0 m -92.66 13.45 20.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.3 mmmm 45.99 46.13 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 3.6 t -89.42 -38.73 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.659 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -103.55 82.9 2.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -62.29 -30.88 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.868 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.19 -30.12 7.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.65 -82.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.806 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.53 -34.53 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.408 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 17.5 t -125.73 118.37 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.868 HG22 ' O ' ' A' ' 54' ' ' GLY . 82.1 p -104.3 140.94 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.447 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -47.61 -22.61 1.84 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.471 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -75.27 -30.48 60.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -75.89 -49.65 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.86 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -58.68 -36.15 58.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.38 -43.72 80.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.471 HD12 ' O ' ' A' ' 60' ' ' THR . 32.4 mt -66.76 -49.94 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.657 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.0 t -52.86 -50.92 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 27.5 t80 -57.52 -29.01 63.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.423 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -87.97 -14.13 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -93.04 -39.72 10.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 65' ' ' VAL . 7.9 m -69.27 -36.1 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.0 pttt -84.1 -171.66 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -110.96 -178.68 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.97 10.33 19.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.64 -49.52 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.96 147.93 45.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.67 -6.6 12.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -129.11 161.2 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.2 pt -115.94 153.75 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLU . 2.0 m-20 -108.91 158.83 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 16.4 t80 -39.35 -42.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -58.05 -49.03 78.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ASN . 43.4 mt-10 -74.0 -41.4 61.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 50.8 t80 -53.24 -49.38 66.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -27.29 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -39.47 92.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.537 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -71.4 -41.87 69.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 20.4 mt -56.97 -38.46 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.57 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 7.2 mt-10 -65.27 -46.06 82.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.487 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 7.6 mm-40 -65.03 -29.68 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.724 HD11 HG23 ' A' ' 62' ' ' VAL . 59.5 mt -95.98 -5.74 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -63.98 -56.13 17.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.6 p -77.01 -38.78 52.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.806 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 16.1 mtpt -64.89 -11.76 41.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 23.4 tpt85 -105.43 -53.92 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.919 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 78.6 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HD3' ' CG ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -55.75 -42.65 75.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.45 ' CG ' ' HD3' ' A' ' 99' ' ' LYS . 6.2 mt-10 -75.0 -52.77 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.43 -51.03 68.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.25 -50.96 71.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 69.0 t80 -61.1 -39.7 90.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -21.78 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.919 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -86.26 -39.23 16.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 109' ' ' LEU . 5.5 tt -74.41 -33.93 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.561 ' SG ' HD22 ' A' ' 17' ' ' LEU . 99.2 m -67.16 -36.99 82.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.14 -21.93 64.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 106' ' ' ILE . 56.3 mt -73.04 -24.08 60.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 20' ' ' SER . 5.5 mt -102.0 -64.53 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -38.63 114.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.02 -39.51 2.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.417 1.073 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -75.48 167.04 22.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -150.71 156.84 36.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' C ' ' HA ' ' A' ' 111' ' ' ALA . . . 158.69 -27.66 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . 34.6 tp -58.01 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 3.5 tt0 -47.66 -25.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -74.77 -35.48 62.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.593 ' HB2' HG22 ' A' ' 110' ' ' ILE . 49.8 m -80.11 -44.18 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -50.46 -55.79 14.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.464 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -49.88 -47.76 51.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' CD ' ' HG2' ' A' ' 114' ' ' GLU . 34.4 mttm -49.87 -52.51 32.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.747 ' CD1' HD13 ' A' ' 45' ' ' LEU . 35.4 m-85 -73.12 -22.51 60.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -75.02 -47.64 28.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.0 pt -88.06 9.04 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -106.05 -13.32 15.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 110.292 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.12 148.93 51.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.8 ttm -139.63 118.69 12.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.509 ' HA ' HG12 ' A' ' 76' ' ' VAL . 10.4 m-20 -73.79 143.8 45.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.543 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . -49.56 -37.32 26.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -38.94 88.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -79.5 -34.29 41.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.869 ' NE1' HG22 ' A' ' 62' ' ' VAL . 2.9 t-105 -65.83 -52.53 49.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 46' ' ' CYS . . . -61.59 -58.01 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -50.08 -25.21 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.747 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.8 tp -78.93 -30.52 44.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -74.62 -11.41 60.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.277 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.55 -50.02 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.461 ' OD2' ' HA ' ' A' ' 115' ' ' PRO . 13.7 t0 -57.71 -34.67 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.408 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 37.1 m -94.55 11.2 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 45.62 43.09 8.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.3 t -82.52 -41.03 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.495 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . . . -92.42 81.88 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -52.32 -37.32 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.577 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.58 -30.71 7.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -81.12 -76.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.851 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.82 -42.9 97.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -115.63 124.1 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 54' ' ' GLY . 18.8 p -109.98 141.77 42.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -48.65 -21.41 2.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.515 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.2 m -78.89 -27.78 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.2 m-20 -77.28 -46.92 21.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.869 HG22 ' NE1' ' A' ' 42' ' ' TRP . 5.1 p -58.36 -36.54 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -47.95 75.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 60' ' ' THR . 17.3 mt -63.58 -48.06 88.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -56.73 -46.02 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CE1' ' HA2' ' A' ' 39' ' ' GLY . 48.9 t80 -59.8 -32.45 70.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.23 -7.2 54.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -93.03 -21.57 19.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.082 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 65' ' ' VAL . 15.4 m -90.64 -32.29 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 66' ' ' PHE . 4.2 pttt -95.59 -165.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.47 172.27 9.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -67.76 -10.8 55.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t -93.73 -68.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.57 155.05 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -127.95 3.67 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 38' ' ' ASN . 3.7 m -140.83 164.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 82' ' ' PHE . 25.5 pt -125.0 151.19 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -103.45 160.27 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 21.2 t80 -40.4 -29.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 78' ' ' ASN . 2.4 mt-10 -72.29 -48.82 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' ASN . 98.7 mt-10 -78.18 -14.77 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.253 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.756 ' CE2' HD11 ' A' ' 86' ' ' LEU . 32.8 t80 -82.69 -33.04 27.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -71.74 -29.38 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -62.14 -59.31 5.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -47.8 -48.73 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.756 HD11 ' CE2' ' A' ' 82' ' ' PHE . 96.1 mt -53.61 -40.94 66.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.1 mm-40 -63.15 -36.61 84.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -76.16 -25.08 54.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.684 HD11 HG23 ' A' ' 62' ' ' VAL . 69.3 mt -98.9 -3.35 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -68.59 -57.56 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.8 p -77.39 -35.33 54.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.363 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.851 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 15.3 mtpt -67.69 -10.73 55.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 28.6 tpt85 -106.87 -58.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -68.98 -48.72 62.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.59 -47.91 29.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.57 -52.08 64.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -59.77 -54.51 45.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.602 ' CE2' ' SG ' ' A' ' 107' ' ' CYS . 73.9 t80 -54.94 -41.67 71.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -25.66 67.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.28 -35.08 28.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -80.14 -32.94 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.602 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 11.0 m -65.0 -23.36 67.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -78.35 -26.45 46.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 106' ' ' ILE . 64.2 mt -68.68 -34.14 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.593 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.5 mt -95.08 -58.37 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -44.75 105.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.2 -42.41 1.94 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.68 147.35 50.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.4 ' HG2' ' CD ' ' A' ' 23' ' ' LYS . 39.0 mt-10 -129.62 153.33 80.72 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.486 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.42 -22.53 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.92 HD22 ' SG ' ' A' ' 107' ' ' CYS . 58.0 tp -52.03 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 19.8 tt0 -46.96 -34.17 5.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.51 -50.87 70.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.609 ' OG ' HG22 ' A' ' 110' ' ' ILE . 2.7 p -63.68 -48.48 77.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' ALA . 18.4 t80 -49.78 -54.16 20.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -49.09 -47.01 45.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -52.95 -54.62 32.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.928 ' CD1' HD13 ' A' ' 45' ' ' LEU . 42.7 m-85 -68.76 -22.9 64.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -76.74 -47.68 21.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 34' ' ' GLY . 7.0 pt -91.0 26.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 115' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' N ' ' CG2' ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -114.52 -14.49 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -133.59 145.22 49.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.43 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 30.4 ttm -135.64 118.7 16.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.98 144.13 47.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.697 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -56.55 -16.13 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -76.66 -41.64 44.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -82.59 -33.13 28.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.806 ' NE1' HG22 ' A' ' 62' ' ' VAL . 3.8 t-105 -58.96 -58.36 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.8 -52.11 61.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -54.93 -35.82 64.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.928 HD13 ' CD1' ' A' ' 24' ' ' PHE . 12.0 tp -69.53 -27.76 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.509 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 84.4 m -92.17 11.24 26.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.606 ' HE3' ' HB3' ' A' ' 52' ' ' ALA . 8.1 mptt -118.58 -55.67 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -40.67 94.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.611 ' SG ' HD12 ' A' ' 45' ' ' LEU . 99.8 m -74.8 -4.24 36.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 49.5 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.581 HG13 HG13 ' A' ' 106' ' ' ILE . 2.1 t -94.95 -36.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HE3' ' A' ' 47' ' ' LYS . . . -100.26 86.85 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 93' ' ' ARG . 20.9 p-10 -56.54 -38.39 71.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.615 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.28 -27.86 9.15 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -80.24 -75.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -68.26 -41.74 80.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 t -112.47 118.19 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 54' ' ' GLY . 16.0 p -109.31 142.12 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.23 -22.75 1.0 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.484 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.2 m -74.26 -31.68 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -75.24 -50.88 14.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.853 HG23 HD11 ' A' ' 89' ' ' LEU . 4.2 p -57.7 -36.65 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -44.62 91.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.484 HD12 ' O ' ' A' ' 60' ' ' THR . 22.7 mt -68.85 -46.0 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.758 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.3 t -55.67 -50.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.697 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 7.2 t80 -59.48 -31.27 69.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -86.92 -15.85 37.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -88.1 -40.94 13.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 65' ' ' VAL . 6.1 m -67.43 -39.94 83.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HB3' HG22 ' A' ' 77' ' ' ILE . 4.0 pttt -80.54 -173.32 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -111.83 166.41 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -13.74 53.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.85 -69.07 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.45 149.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.03 -24.55 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.8 m -112.16 -178.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.765 HD12 ' HB2' ' A' ' 82' ' ' PHE . 2.3 pt -132.44 148.37 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.34 160.34 14.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.3 t80 -50.67 -25.34 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.53 -28.76 56.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -97.41 -25.34 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.765 ' HB2' HD12 ' A' ' 77' ' ' ILE . 2.3 t80 -73.62 -38.97 64.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 9.0 ptpt -63.09 -32.72 74.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -61.0 -56.9 15.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.569 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -41.83 -44.61 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.567 ' HB3' HG21 ' A' ' 106' ' ' ILE . 92.6 mt -52.73 -54.63 31.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -35.64 51.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -74.54 -30.51 61.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.853 HD11 HG23 ' A' ' 62' ' ' VAL . 52.3 mt -98.97 4.42 47.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.558 ' HB1' ' HB1' ' A' ' 102' ' ' ALA . . . -82.16 -57.71 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.1 p -77.42 -20.42 54.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.853 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 20.8 mtpt -83.25 -19.9 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 17.6 tpt85 -102.02 -65.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.948 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 80.5 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 101' ' ' GLU . 58.0 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 7.2 tttt -53.43 -41.15 65.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.55 -48.63 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 31.6 mt-10 -55.2 -52.02 64.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.558 ' HB1' ' HB1' ' A' ' 90' ' ' ALA . . . -55.02 -54.34 44.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.462 ' CE2' ' O ' ' A' ' 83' ' ' LYS . 3.1 t80 -61.09 -36.44 79.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.53 -24.78 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.948 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -82.82 -50.5 8.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.581 HG13 HG13 ' A' ' 51' ' ' VAL . 3.7 tt -58.77 -29.63 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . 0.92 ' SG ' HD22 ' A' ' 17' ' ' LEU . 6.4 m -66.81 -29.02 68.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 105' ' ' ALA . 4.0 mt-30 -67.32 -39.68 85.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -59.97 -45.26 93.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ILE . . . . . 0.827 HG23 HD11 ' A' ' 45' ' ' LEU . 3.4 mt -90.09 -78.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.776 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -35.97 120.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.38 -34.36 5.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -81.7 175.08 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 0.714 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -153.67 150.75 23.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.576 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.508 1.793 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -91.68 -58.11 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 110.055 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t 61.81 138.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.92 146.85 0.57 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p -120.3 101.65 7.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.994 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.8 t 61.73 145.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.99 102.2 0.15 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.578 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -179.71 152.61 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 0.0 110.985 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 8' ' ' MET . . . 171.35 159.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.2 160.9 31.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 m -161.99 113.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -111.07 -40.42 4.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.91 157.22 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.431 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 38.9 mm -55.48 -65.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.4 71.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.61 -27.38 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD22 ' SG ' ' A' ' 107' ' ' CYS . 67.6 tp -55.85 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 7.5 tt0 -48.17 -28.15 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -68.08 -40.51 82.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.544 ' HB2' HG22 ' A' ' 110' ' ' ILE . 17.4 m -75.46 -44.97 41.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -50.03 -53.65 25.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -45.99 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 92.3 mttt -53.81 -56.21 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.983 ' CD1' HD13 ' A' ' 45' ' ' LEU . 38.5 m-85 -65.87 -31.55 72.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -65.36 -47.91 74.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.416 HG22 ' HB1' ' A' ' 32' ' ' ALA . 6.5 pt -92.0 14.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CD2' ' HE2' ' A' ' 44' ' ' LYS . 5.7 t-80 -40.8 112.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.598 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.68 -61.72 0.9 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.01 105.85 0.45 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -23.87 13.32 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -40.37 56.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' A' ' 26' ' ' ILE . . . -46.26 132.87 9.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.73 -17.23 21.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.88 30.23 6.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -105.1 -26.65 12.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' OE1' HG23 ' A' ' 76' ' ' VAL . 6.7 mm-40 -125.33 157.83 35.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 ttm -138.88 122.06 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.499 ' HA ' HG12 ' A' ' 76' ' ' VAL . 1.2 t30 -73.08 143.41 47.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.673 ' CA ' ' CE1' ' A' ' 66' ' ' PHE . . . -55.45 -27.44 47.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -68.78 -37.5 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.48 -39.31 20.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.849 ' NE1' HG22 ' A' ' 62' ' ' VAL . 1.7 t-105 -54.34 -58.67 6.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.7 -49.02 66.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HE2' ' CD2' ' A' ' 27' ' ' HIS . 16.4 tttt -55.3 -47.77 75.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.983 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.6 tp -57.1 -29.28 63.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' ALA . 75.6 m -87.49 9.73 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.731 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.91 -55.29 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.45 -35.16 76.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 68.0 m -83.15 4.22 27.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.78 48.18 23.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.502 HG12 HD11 ' A' ' 106' ' ' ILE . 1.9 t -92.89 -33.91 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.731 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -102.03 80.22 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.21 -37.16 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.706 ' O ' HG22 ' A' ' 58' ' ' THR . . . 112.57 -30.57 7.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -78.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.846 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -67.89 -40.42 83.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 23.0 t -113.88 121.85 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 54' ' ' GLY . 18.5 p -112.47 141.49 46.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.42 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.515 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -43.63 -25.04 0.49 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 58' ' ' THR . 2.2 m -76.81 -39.76 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.37 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -64.26 -46.81 82.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.882 HG23 HD11 ' A' ' 89' ' ' LEU . 4.4 p -63.04 -36.97 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.32 -40.25 95.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mt -69.98 -51.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.675 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.5 t -53.0 -44.62 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.673 ' CE1' ' CA ' ' A' ' 39' ' ' GLY . 35.9 t80 -59.17 -35.29 73.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.428 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -90.08 -1.82 58.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -23.33 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 65' ' ' VAL . 8.8 m -88.79 -44.95 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.816 ' HB3' HG22 ' A' ' 77' ' ' ILE . 5.1 pttt -75.59 -164.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -123.19 153.29 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -20.96 4.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.9 t -85.51 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.47 151.95 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -113.7 -16.64 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 38' ' ' ASN . 0.8 OUTLIER -116.98 175.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.816 HG22 ' HB3' ' A' ' 70' ' ' LYS . 10.3 pt -126.76 156.67 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -109.55 158.79 17.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 10.6 t80 -40.84 -49.1 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -50.87 -48.49 60.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 35.3 mt-10 -72.43 -41.88 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.521 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 56.7 t80 -51.83 -50.95 59.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -62.0 -28.54 69.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -64.64 -45.42 86.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.51 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.45 -43.29 97.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 46.5 mt -56.56 -39.12 72.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.57 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 3.8 mm-40 -63.79 -38.65 91.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -73.63 -29.38 62.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.882 HD11 HG23 ' A' ' 62' ' ' VAL . 40.3 mt -97.9 1.97 48.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -79.05 -55.33 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.6 p -77.29 -20.93 54.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.846 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 13.0 mtpt -83.44 -30.24 27.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 20.4 tpt85 -80.56 -65.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.929 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 72.0 m-85 -73.2 172.81 10.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.94 -135.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.99 45.88 1.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' HG3' ' HG2' ' A' ' 95' ' ' LYS . 2.1 mttp -69.37 179.51 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 m -81.0 157.71 25.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -42.01 65.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.24 -51.05 11.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -55.46 -53.17 59.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.57 77.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.606 ' O ' HG22 ' A' ' 106' ' ' ILE . 69.7 t80 -60.65 -41.17 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -26.69 61.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.929 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -72.19 -42.26 66.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.631 ' HA ' HD12 ' A' ' 109' ' ' LEU . 9.9 tt -71.22 -28.05 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.454 ' SG ' HD22 ' A' ' 17' ' ' LEU . 94.7 m -72.55 -33.3 66.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 108.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.35 -12.45 56.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 106' ' ' ILE . 22.5 mt -88.22 -34.36 17.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.8 mt -92.42 -65.47 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.431 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -40.31 111.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.02 -42.46 1.94 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -71.25 149.13 46.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 23' ' ' LYS . 4.8 mt-10 -121.41 158.5 53.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.2 Cg_endo -74.96 1.04 8.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.65 161.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.46 -56.01 26.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.3 mt 61.34 118.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.18 82.58 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.0 p -148.8 136.67 14.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.561 0.801 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.4 m -101.73 126.85 48.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 0.0 OUTLIER -175.02 123.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 122' ' ' LYS . . . 176.97 -179.35 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -168.39 113.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.4 p -54.12 139.49 35.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.371 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -156.91 142.94 9.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.65 -158.74 9.4 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.59 161.96 40.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 83.0 t -110.59 130.95 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -109.3 161.85 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.49 177.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.1 tp 173.29 108.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.4 m -55.21 129.78 39.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.457 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -117.73 97.91 6.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 4.2 t -54.34 -47.63 72.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 m 52.37 101.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -99.43 137.64 37.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.403 ' O ' ' CD1' ' A' ' 138' ' ' TYR . 48.7 p90 -134.68 132.99 39.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 75.2 p -123.27 167.12 14.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.39 -71.49 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.9 p -100.5 110.24 22.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.99 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -168.43 170.0 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.625 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.45 68.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.27 -59.21 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.11 150.27 43.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.4 t -121.33 154.87 35.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -173.11 155.69 23.18 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 13.1 p -171.77 -56.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.26 121.58 11.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.047 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.0 m -77.19 85.02 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 p -175.61 109.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.83 -123.61 1.92 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 p -81.02 114.56 19.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.3 164.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.86 122.08 0.95 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.26 170.4 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.58 159.96 19.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.17 177.75 5.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.26 136.56 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.023 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 t -46.03 -42.63 13.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.86 176.21 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.581 HG22 ' H ' ' A' ' 15' ' ' ALA . 1.2 mm -104.55 -151.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.581 ' H ' HG22 ' A' ' 14' ' ' ILE . . . 176.0 73.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 148.42 -18.38 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.647 HD22 ' SG ' ' A' ' 107' ' ' CYS . 43.4 tp -52.48 -72.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 0.727 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -47.94 -25.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -77.61 -35.63 52.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.574 ' HB2' HG22 ' A' ' 110' ' ' ILE . 30.0 m -78.51 -42.38 29.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE1' ' CG ' ' A' ' 82' ' ' PHE . 27.9 t80 -56.9 -51.01 70.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -45.11 42.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -49.82 -56.23 11.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.959 ' CD1' HD13 ' A' ' 45' ' ' LEU . 50.1 m-85 -65.72 -32.37 73.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -62.4 -47.51 83.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.46 HG23 ' HA2' ' A' ' 34' ' ' GLY . 14.8 pt -91.37 13.13 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -39.01 119.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.28 64.83 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -167.8 105.55 0.58 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.1 15.21 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' ALA . 2.7 mmtp -76.53 -49.18 17.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -39.53 126.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.1 m -79.26 -29.35 42.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . 102.57 26.12 7.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -114.24 -13.53 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -128.4 153.86 46.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.558 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 36.0 ttm -138.57 134.41 33.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -83.79 143.22 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.598 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -49.72 -21.75 3.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -76.42 -40.78 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.734 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -80.85 -21.16 40.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.81 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.1 t-105 -75.4 -56.04 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.81 -49.05 76.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -57.05 -47.51 80.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.959 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.5 tp -57.17 -30.57 64.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.498 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 74.1 m -84.6 5.19 28.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.695 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -113.13 -47.54 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.59 -35.72 80.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 91.0 m -87.04 8.33 23.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.88 51.09 16.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.515 HG12 HD11 ' A' ' 106' ' ' ILE . 1.8 t -94.82 -31.75 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.695 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -105.96 75.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -48.95 -35.53 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.72 ' O ' HG22 ' A' ' 58' ' ' THR . . . 111.5 -31.59 7.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -77.58 -76.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.796 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.864 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.27 -42.08 88.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.23 120.86 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 54' ' ' GLY . 36.7 p -111.96 141.56 45.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.569 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -44.86 -24.02 0.68 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.666 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -70.61 -34.94 72.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -75.7 -52.13 11.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.81 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.2 p -58.89 -35.85 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -67.97 -48.74 65.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 60' ' ' THR . 23.4 mt -64.65 -48.74 83.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.8 t -52.54 -47.82 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.598 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 31.8 t80 -57.24 -31.56 65.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.62 -8.37 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.95 -9.94 27.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 65' ' ' VAL . 16.2 m -105.71 -24.89 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HB3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -100.97 -168.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.87 153.29 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -20.52 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -84.96 -55.6 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.38 156.25 23.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -128.04 4.01 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.14 160.47 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 82' ' ' PHE . 22.4 pt -118.14 152.16 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -103.13 159.31 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 13.1 t80 -41.84 -28.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.94 -49.06 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 81' ' ' GLU . 3.1 mp0 -76.77 -15.32 59.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 17.2 t80 -82.03 -36.07 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -73.48 -27.26 61.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -63.24 -46.67 85.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.52 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -61.37 -44.61 96.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.517 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 63.4 mt -53.88 -42.43 68.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 2.9 mt-10 -60.45 -43.44 96.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 15.1 mm-40 -69.02 -26.54 65.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.706 ' CD1' HG23 ' A' ' 62' ' ' VAL . 38.3 mt -99.62 1.86 44.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.53 -54.47 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.9 p -77.02 -21.33 54.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.864 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 12.1 mtpt -84.03 -28.16 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 27.5 tpt85 -82.67 -64.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.949 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 72.1 m-85 -79.31 175.95 10.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.19 -148.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -85.97 25.01 7.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 96' ' ' GLY . 10.4 mttt -49.03 177.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.1 m -81.43 153.86 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -48.78 -47.23 42.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.27 -50.16 42.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.44 -51.71 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.38 78.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 38.1 t80 -67.08 -40.32 86.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.0 -22.38 60.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.949 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -80.61 -42.32 22.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' A' ' 109' ' ' LEU . 10.2 tt -75.51 -33.18 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.647 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.1 m -68.18 -31.19 70.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -74.44 -14.86 60.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 106' ' ' ILE . 71.6 mt -78.55 -26.04 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.574 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.5 mt -98.51 -62.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.38 115.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.72 -42.01 2.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.3 mttt -73.08 165.89 24.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -152.08 156.8 34.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.03 -158.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 115' ' ' PRO . . . 73.41 -176.69 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -111.73 79.57 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.7 mp 60.69 117.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -134.62 -113.96 1.4 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.13 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 120' ' ' VAL . 29.3 m -108.22 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.784 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.7 p -106.69 147.7 29.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -175.52 156.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -159.48 160.77 35.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.2 155.28 34.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 51.6 m -110.81 157.17 20.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.08 -162.47 35.64 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.7 -152.36 16.22 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.82 172.96 15.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.74 140.07 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.66 151.91 27.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -165.57 162.8 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.249 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.51 150.67 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 4.7 t -149.03 143.66 26.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -148.02 141.93 25.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.3 m -154.39 95.72 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.4 t -130.56 137.27 49.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.963 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.33 164.25 30.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.8 167.2 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 11.6 t -124.75 163.0 23.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -92.11 -156.55 32.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.2 168.97 17.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.32 174.74 10.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.612 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.81 154.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 177.27 -57.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -38.85 130.72 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 92.8 p -174.99 111.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -169.33 101.68 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -179.24 4.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.84 157.53 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.963 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.2 t -117.65 154.1 32.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.162 . . . . 0.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -128.36 -58.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 p -88.23 90.91 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.4 -103.79 1.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -73.29 80.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.18 82.44 1.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.19 -85.09 0.87 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 50.62 99.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.8 88.22 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.67 166.71 23.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.83 110.36 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 13' ' ' ASP . 6.9 t -128.46 -49.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 12' ' ' THR . 29.0 t70 -104.98 170.47 7.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.501 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 26.4 mm -46.05 -71.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 69.77 71.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.9 -26.43 0.25 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.555 HD22 ' SG ' ' A' ' 107' ' ' CYS . 50.2 tp -57.88 -81.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 6.5 tt0 -47.18 -25.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -74.01 -39.15 63.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.897 ' OG ' HG22 ' A' ' 110' ' ' ILE . 10.5 p -78.11 -45.19 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.46 -52.24 39.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -49.78 -48.22 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' SER . 74.3 mttt -49.23 -50.54 38.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.017 ' CD2' HD13 ' A' ' 45' ' ' LEU . 41.7 m-85 -69.99 -31.37 69.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -66.67 -47.64 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . 1.6 pt -92.15 13.34 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' ILE . 31.8 t-80 -39.06 103.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.95 -57.47 1.8 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.459 ' CG ' ' HB2' ' A' ' 32' ' ' ALA . 62.8 t0 -41.46 106.03 0.42 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.33 9.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -28.93 61.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 26' ' ' ILE . . . -54.71 125.89 21.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.5 p -91.56 -10.39 40.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.31 35.26 9.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -114.81 -14.99 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.791 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.551 ' OE1' HG23 ' A' ' 76' ' ' VAL . 8.3 mm-40 -136.29 158.19 45.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.2 ttm -138.31 121.08 16.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.3 m-20 -76.41 143.15 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.537 ' CA ' ' CE1' ' A' ' 66' ' ' PHE . . . -46.92 -29.29 4.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -38.65 78.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 73.4 m-20 -81.42 -29.55 33.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.81 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.0 t-105 -69.99 -67.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.03 -47.74 8.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -58.4 -49.06 78.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.017 HD13 ' CD2' ' A' ' 24' ' ' PHE . 13.5 tp -59.04 -27.59 65.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.606 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 57.5 m -92.18 23.16 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.349 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -134.69 -54.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.44 -38.56 87.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.8 m -76.31 -3.29 35.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.16 39.6 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.152 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.7 t -87.2 -37.45 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -101.29 84.64 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 93' ' ' ARG . 54.5 t0 -59.24 -35.36 73.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.651 ' O ' HG22 ' A' ' 58' ' ' THR . . . 112.14 -28.28 9.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.53 -75.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.849 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.33 -41.17 90.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t -116.3 120.11 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 54' ' ' GLY . 29.3 p -108.28 141.37 40.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.95 -24.38 0.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m -76.96 -36.61 56.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -68.26 -47.01 68.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.178 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.941 HG23 HD11 ' A' ' 89' ' ' LEU . 5.0 p -62.85 -41.08 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -41.18 83.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 mt -70.55 -47.93 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.535 HG22 ' HE3' ' A' ' 68' ' ' LYS . 5.1 t -54.35 -47.73 69.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CE1' ' CA ' ' A' ' 39' ' ' GLY . 44.2 t80 -57.96 -34.98 70.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.33 -2.07 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.535 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -99.55 -21.36 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 65' ' ' VAL . 22.2 m -93.36 -28.13 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.743 ' HB3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -101.0 177.38 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.67 151.82 23.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.15 -23.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -82.56 -66.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.3 143.22 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -114.04 6.43 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.551 HG23 ' OE1' ' A' ' 36' ' ' GLU . 3.7 m -139.96 170.11 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.743 HG22 ' HB3' ' A' ' 70' ' ' LYS . 23.3 pt -127.55 155.46 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' GLU . 19.0 p-10 -110.18 155.69 21.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 18' ' ' GLU . 16.8 t80 -41.33 -32.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.52 -45.77 82.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' ASN . 41.4 mt-10 -79.14 -38.92 34.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.641 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 15.1 t80 -57.37 -34.93 69.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.08 -30.03 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -66.93 -41.49 86.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -64.41 -43.95 92.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.641 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 45.5 mt -57.01 -36.98 71.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.572 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 4.3 mt-10 -64.96 -39.37 93.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -72.03 -25.44 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.941 HD11 HG23 ' A' ' 62' ' ' VAL . 63.2 mt -99.46 -5.42 29.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -66.52 -59.37 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 95' ' ' LYS . 19.5 p -77.47 -38.37 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.849 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 13.5 mtpt -62.44 -13.49 30.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 24.1 tpt85 -108.68 -55.51 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.919 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 70.3 m-85 -87.95 90.98 8.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 27.04 -117.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -133.41 34.67 2.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 96' ' ' GLY . 20.3 mttt -53.76 -171.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 m -82.16 160.5 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -56.46 -44.11 80.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -73.35 -52.95 12.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.59 -51.56 66.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -54.86 -57.14 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 40.0 t80 -55.23 -41.91 72.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -21.73 66.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.919 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -84.11 -45.81 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 109' ' ' LEU . 5.2 tt -68.2 -29.04 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.555 ' SG ' HD22 ' A' ' 17' ' ' LEU . 12.6 m -72.05 -24.22 61.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -79.83 -15.06 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 106' ' ' ILE . 52.9 mt -84.56 -31.0 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.897 HG22 ' OG ' ' A' ' 20' ' ' SER . 5.9 mt -97.15 -62.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -43.82 112.33 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.0 -37.54 3.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 110' ' ' ILE . 3.4 mttm -76.03 169.21 18.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.426 ' HG2' HG21 ' A' ' 120' ' ' VAL . 18.2 pm0 -151.86 156.73 34.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -74.98 -158.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 117' ' ' ASN . . . -41.69 131.42 3.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.796 ' O ' HG13 ' A' ' 120' ' ' VAL . 5.2 t30 171.33 91.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 118' ' ' ILE . 30.9 mm 52.66 50.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' ILE . . . 37.5 91.56 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.796 HG13 ' O ' ' A' ' 117' ' ' ASN . 14.9 m -112.28 108.1 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 t -171.08 124.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.366 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.4 56.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.23 164.31 31.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.0 110.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 38.1 p -109.49 170.91 7.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.86 101.25 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -79.4 -152.64 7.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.65 115.45 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 0.727 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.1 m -104.2 131.66 52.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -80.13 140.83 36.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.18 172.32 13.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.418 HD23 ' H ' ' A' ' 133' ' ' THR . 0.2 OUTLIER 173.41 159.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.418 ' H ' HD23 ' A' ' 132' ' ' LEU . 16.4 m -152.63 138.59 18.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.39 160.37 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 99.6 m -117.16 87.29 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.15 -54.93 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? 62.15 172.26 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.84 135.62 36.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.8 m -115.0 -60.4 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 176.53 152.57 9.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.0 p -119.96 146.85 45.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 109.988 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -95.5 119.86 34.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.628 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -124.28 142.21 51.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -141.5 140.23 33.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -139.75 134.28 31.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 36.6 t -79.0 147.22 32.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -121.47 83.34 0.36 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.86 30.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.3 t -131.12 132.28 44.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.499 1.125 . . . . 0.0 110.006 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.53 -58.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -116.6 164.46 14.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.946 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -113.81 99.61 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.08 163.36 34.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.57 104.02 10.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.61 126.23 3.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.8 91.35 0.18 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.127 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.8 tpp -110.13 133.65 53.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.94 104.53 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.13 128.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.8 m -103.9 119.59 39.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 13' ' ' ASP . 5.6 t -170.24 -49.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 12' ' ' THR . 31.3 t70 -137.2 170.15 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.454 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 18.3 mm -60.07 -67.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 65.62 70.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.9 -27.38 0.23 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.679 HD22 ' SG ' ' A' ' 107' ' ' CYS . 60.1 tp -54.36 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -46.91 -26.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.46 -38.72 65.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.707 ' OG ' HG22 ' A' ' 110' ' ' ILE . 9.7 p -76.1 -45.9 31.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' CD1' ' CG ' ' A' ' 82' ' ' PHE . 19.8 t80 -51.88 -50.9 60.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -53.13 -48.42 67.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 14.9 mttm -50.06 -42.88 50.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.942 ' CD2' HD13 ' A' ' 45' ' ' LEU . 29.8 m-85 -82.53 -22.92 34.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -73.02 -47.71 42.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 pt -91.83 16.27 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -53.31 119.43 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 49.36 65.49 2.73 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 178.04 106.78 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -20.22 17.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -68.83 -56.59 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -39.01 130.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 m -104.33 7.99 35.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.09 32.17 32.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -113.75 -15.37 12.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -136.37 154.13 50.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 19.2 ttm -139.74 117.41 11.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.47 ' HA ' HG12 ' A' ' 76' ' ' VAL . 9.8 m-20 -72.94 143.37 47.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.624 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.72 -39.23 23.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -61.55 -27.6 68.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -92.18 -32.3 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.755 ' HE1' HG22 ' A' ' 62' ' ' VAL . 2.2 t-105 -70.41 -66.2 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.3 -51.98 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -54.14 -36.66 63.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.942 HD13 ' CD2' ' A' ' 24' ' ' PHE . 11.6 tp -71.03 -27.15 63.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.485 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 58.7 m -92.97 24.89 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 -63.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.24 -39.06 78.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' SG ' HD12 ' A' ' 45' ' ' LEU . 60.0 m -71.63 -6.36 40.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt 67.37 42.11 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.4 t -92.8 -32.42 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -109.98 83.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -61.96 -32.01 72.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.971 ' O ' HG22 ' A' ' 58' ' ' THR . . . 114.46 -31.77 6.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.433 1.083 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -83.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 0.793 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.732 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -55.15 -41.94 72.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.45 118.7 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.971 HG22 ' O ' ' A' ' 54' ' ' GLY . 81.5 p -108.62 141.92 39.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.514 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -44.8 -23.97 0.66 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.577 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.2 m -72.84 -34.45 66.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.757 . . . . 0.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -75.09 -50.44 16.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.898 HG23 HD11 ' A' ' 89' ' ' LEU . 4.3 p -60.04 -36.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.11 -42.69 93.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 60' ' ' THR . 23.9 mt -70.04 -46.46 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.687 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -54.67 -51.32 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.624 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 6.7 t80 -60.08 -31.12 69.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -88.44 -9.07 53.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -95.66 -43.04 8.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.687 HG13 ' O ' ' A' ' 65' ' ' VAL . 6.4 m -66.94 -33.01 60.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 5.5 pttp -86.9 -173.29 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -114.09 165.43 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.93 -13.51 57.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.9 -64.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.04 148.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -111.86 -18.36 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.47 HG12 ' HA ' ' A' ' 38' ' ' ASN . 8.8 m -116.35 -176.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.423 HG22 ' HB3' ' A' ' 70' ' ' LYS . 2.9 pt -130.65 149.06 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.19 160.02 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.494 ' CZ ' ' HD3' ' A' ' 83' ' ' LYS . 16.0 t80 -43.91 -58.48 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.66 -34.7 12.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -82.46 -31.85 29.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 43.7 t80 -63.68 -32.78 74.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.494 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 4.0 mtmt -77.34 -26.25 51.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -43.72 89.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.558 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -67.59 -42.68 82.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 35.1 mt -56.75 -42.88 80.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.532 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -60.1 -39.78 87.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 57.5 mm-40 -70.74 -30.76 67.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.898 HD11 HG23 ' A' ' 62' ' ' VAL . 55.7 mt -93.43 -3.01 53.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -76.58 -58.12 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.4 p -77.33 -20.0 55.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.732 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 23.3 mtpt -84.01 -19.1 35.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 5.7 tpt180 -99.46 -66.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.879 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 78.6 m-85 -76.45 90.43 3.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.575 ' C ' ' O ' ' A' ' 94' ' ' PHE . 6.7 mtmm 25.98 -125.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -122.56 35.93 3.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 96' ' ' GLY . 8.0 mttm -54.39 -169.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.2 m -84.3 164.95 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -40.94 97.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.98 -52.61 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.17 -51.88 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -54.55 -50.4 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.532 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 53.7 t80 -64.97 -37.99 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -21.86 66.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.879 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -85.14 -47.77 9.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.618 ' HA ' HD12 ' A' ' 109' ' ' LEU . 4.8 tt -63.61 -30.02 48.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.693 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 22.5 m -71.16 -25.35 62.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 108.291 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -79.15 -12.03 59.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 106' ' ' ILE . 34.1 mt -88.14 -34.37 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.707 HG22 ' OG ' ' A' ' 20' ' ' SER . 5.1 mt -97.37 -65.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -40.95 112.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.89 -41.47 2.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -71.19 158.78 35.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.69 156.13 78.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo -74.97 1.26 7.92 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -119.16 -174.84 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 50.47 76.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.635 ' N ' HD12 ' A' ' 118' ' ' ILE . 2.0 mp -107.12 83.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -82.18 -113.21 0.43 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.9 p -169.64 145.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -126.9 142.65 51.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 109.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -172.84 171.57 4.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -130.46 112.2 13.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 68.5 p -95.02 136.7 35.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -136.84 -151.22 5.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 60.1 86.15 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.14 154.02 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.561 HG13 ' O ' ' A' ' 129' ' ' VAL . 12.0 p -170.39 61.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 131' ' ' ARG . 1.4 m-20 -90.13 127.06 36.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 1.8 mtp180 175.97 179.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.425 ' CB ' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER 168.7 104.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 2.8 t -162.01 52.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.416 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -127.41 133.01 50.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.2 m -146.16 90.81 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 93.6 p -142.28 81.27 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -166.8 143.11 4.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -146.01 118.12 8.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 6.1 t -97.22 138.1 35.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.438 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -118.31 -166.12 13.6 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.03 153.9 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.959 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 47.5 m170 -50.98 -62.01 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.13 85.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.27 140.22 48.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -86.16 155.4 20.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.95 95.4 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -104.08 106.67 2.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.87 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.47 120.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.69 133.89 55.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -168.73 159.81 10.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.09 163.25 15.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.57 168.27 53.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 p -172.74 134.64 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -148.26 -62.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.36 143.27 13.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.54 170.35 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.75 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.2 156.7 44.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.8 177.74 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.61 76.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 13' ' ' ASP . 1.3 m -106.38 -80.73 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.443 ' N ' HG22 ' A' ' 12' ' ' THR . 0.8 OUTLIER -109.86 170.71 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.45 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 38.0 mm -43.11 -70.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 68.72 72.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.52 0.28 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' HB2' HG21 ' A' ' 14' ' ' ILE . 63.6 tp -56.87 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -47.39 -29.35 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -71.19 -42.01 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.617 ' HB3' HG22 ' A' ' 110' ' ' ILE . 24.4 t -75.0 -46.49 34.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -52.12 -50.35 61.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -47.56 43.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 17.7 mttm -51.2 -47.87 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.071 ' CD2' HD13 ' A' ' 45' ' ' LEU . 49.2 m-85 -75.14 -29.81 60.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' CA ' ' HE3' ' A' ' 37' ' ' MET . . . -64.66 -47.83 77.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 10.6 pt -92.91 15.09 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 28.6 t60 -39.32 105.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.12 -60.68 1.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -42.73 106.15 0.46 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.92 8.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -47.28 66.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.15 130.28 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 m -104.98 12.29 32.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.71 37.83 33.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -115.4 -14.16 11.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.61 ' HB3' HG21 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -141.39 154.31 45.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.417 ' HE3' ' CA ' ' A' ' 25' ' ' ALA . 29.5 ttm -136.31 117.26 14.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -73.17 144.31 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.635 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -50.76 -36.92 33.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -61.87 -31.88 72.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -87.36 -38.17 16.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.851 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.2 t-105 -60.93 -64.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.34 -49.67 33.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -56.64 -39.6 73.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.071 HD13 ' CD2' ' A' ' 24' ' ' PHE . 13.7 tp -68.61 -26.43 65.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.598 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 14.4 m -91.59 27.41 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 -52.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -61.9 -36.64 81.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.5 m -79.86 0.13 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.33 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt 67.1 41.16 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -87.69 -40.78 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -97.24 -177.16 3.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -169.1 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.712 ' O ' HG22 ' A' ' 58' ' ' THR . . . 122.69 -19.34 7.96 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.22 -78.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.08 -44.46 84.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.9 t -123.54 122.55 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 54' ' ' GLY . 41.4 p -105.81 140.77 38.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -49.44 -20.57 2.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.632 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.4 m -77.12 -27.58 54.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.51 -46.89 16.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.858 HG23 HD11 ' A' ' 89' ' ' LEU . 4.0 p -60.4 -37.08 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -47.04 75.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 60' ' ' THR . 25.2 mt -64.97 -48.13 85.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.4 t -53.88 -50.86 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.635 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 6.0 t80 -59.95 -27.53 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -90.61 -12.08 38.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -90.77 -41.73 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 65' ' ' VAL . 11.8 m -68.39 -45.79 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 4.5 pttp -71.59 -175.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -121.68 147.49 45.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' ALA . 1.8 ttmm -40.29 -29.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -79.03 -73.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.68 148.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -114.41 -16.23 11.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 36' ' ' GLU . 34.6 m -119.93 -175.36 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.643 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.8 pt -133.41 148.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 81' ' ' GLU . 8.9 p-10 -104.43 157.72 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 14.0 t80 -40.89 -35.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.6 -48.51 77.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -75.46 -39.24 58.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.643 ' HB2' HD12 ' A' ' 77' ' ' ILE . 23.2 t80 -57.77 -34.15 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -29.35 63.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -69.69 -40.91 76.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.522 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.28 -45.18 92.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 56.0 mt -55.41 -44.11 75.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.584 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.2 mt-10 -58.05 -38.45 76.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.242 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -72.82 -27.28 61.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.858 HD11 HG23 ' A' ' 62' ' ' VAL . 53.8 mt -98.53 0.64 45.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.26 -57.19 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.2 p -77.08 -23.24 51.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.586 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.0 mtpt -79.57 -29.55 41.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 13.8 tpt180 -83.81 -65.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.95 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 75.4 m-85 -73.69 170.02 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.48 -139.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.69 50.17 2.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.416 ' HG3' ' HG2' ' A' ' 95' ' ' LYS . 3.1 mttm -73.07 177.7 4.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 m -78.31 150.61 33.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -47.93 -42.29 26.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.39 -49.71 14.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -55.31 -52.74 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.8 76.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.584 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 31.1 t80 -66.62 -40.27 88.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.64 -22.86 58.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.95 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -76.3 -43.57 40.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.579 ' HA ' HD12 ' A' ' 109' ' ' LEU . 12.5 tt -69.8 -29.36 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 57.9 m -72.38 -31.61 65.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -65.3 -11.12 38.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 106' ' ' ILE . 11.4 mt -92.66 -32.27 14.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.617 HG22 ' HB3' ' A' ' 20' ' ' SER . 7.0 mt -91.27 -64.35 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.63 115.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.26 -42.34 1.93 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER -66.6 168.92 8.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' A' ' 116' ' ' ALA . 1.0 OUTLIER -148.84 157.18 40.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo -74.95 1.55 7.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.567 ' HB3' ' HG3' ' A' ' 114' ' ' GLU . . . -64.87 178.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -77.35 -56.23 4.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.6 mm -118.08 107.48 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.67 -98.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -172.65 155.36 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 0.736 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 55.5 p 45.91 -168.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -175.13 67.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 56.67 176.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.91 109.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 68.0 p -48.83 155.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.433 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -115.71 -164.49 14.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.64 161.65 16.79 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.36 156.79 42.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.4 m -90.86 129.9 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -152.45 168.38 25.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.4 153.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.448 HD23 ' O ' ' A' ' 132' ' ' LEU . 0.0 OUTLIER 173.23 149.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.9 t -86.18 162.86 18.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.23 154.8 50.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 18.9 m -152.13 107.81 3.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -58.47 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.98 171.75 14.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.85 167.46 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 13.4 t -44.27 159.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -90.33 -133.94 5.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.56 1.162 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.96 170.33 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.958 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -155.29 178.36 10.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.96 170.59 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -133.47 134.7 43.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.76 162.27 35.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.0 t 73.76 159.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.962 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -167.67 -119.97 0.5 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -179.22 4.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.81 169.47 17.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 13.5 m -126.47 171.44 11.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.61 166.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.7 124.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.86 -61.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -46.41 152.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 109.954 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.77 144.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.73 -158.21 9.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 mmt -103.13 171.98 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.86 137.31 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.63 165.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -176.86 132.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -89.41 -46.2 8.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.34 -179.63 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.432 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 24.2 mm -53.08 -68.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.65 70.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.44 -28.2 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.524 HD22 ' SG ' ' A' ' 107' ' ' CYS . 53.9 tp -56.57 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 6.9 tt0 -47.27 -29.13 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.73 -39.39 76.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB2' HG22 ' A' ' 110' ' ' ILE . 15.0 m -77.43 -47.3 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -50.66 -51.04 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -46.12 64.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -52.15 -56.0 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.986 ' CD1' HD13 ' A' ' 45' ' ' LEU . 40.6 m-85 -63.6 -31.99 73.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -63.16 -47.4 82.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.487 HG23 ' HA2' ' A' ' 34' ' ' GLY . 15.6 pt -88.82 11.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' ND1' ' CE ' ' A' ' 44' ' ' LYS . 39.0 t60 -40.58 118.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.47 63.94 1.98 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -171.48 103.93 0.38 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -22.6 14.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.788 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -75.93 -38.63 57.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HB1' HG22 ' A' ' 26' ' ' ILE . . . -47.92 126.73 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.2 m -81.07 -23.15 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . 95.78 27.71 10.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -114.38 -14.0 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.6 mp0 -126.99 152.18 47.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.544 ' HE1' HD22 ' A' ' 45' ' ' LEU . 34.4 ttm -137.47 118.58 14.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.7 m-20 -73.62 143.32 46.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.614 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.45 -35.6 10.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -63.73 -35.89 82.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ASN . 10.7 m-20 -83.22 -37.79 23.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.953 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.7 t-105 -60.06 -57.09 14.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 107.96 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.83 -52.34 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' CE ' ' ND1' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -53.37 -37.04 62.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.986 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.3 tp -69.49 -25.63 64.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 31.8 m -93.36 33.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.33 -65.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -43.28 84.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.8 m -65.98 -9.78 33.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 108.293 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt 69.65 34.78 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG13 ' CG1' ' A' ' 106' ' ' ILE . 2.0 t -80.66 -36.32 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -94.33 -177.9 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.8 -43.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.724 ' O ' HG22 ' A' ' 58' ' ' THR . . . 119.33 -26.71 7.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.17 -79.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.786 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.85 -45.92 87.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.5 t -123.53 119.52 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 54' ' ' GLY . 57.7 p -99.93 139.34 35.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.91 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.67 -25.9 0.97 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -76.0 -40.5 53.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -58.8 -42.74 89.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.953 HG22 ' NE1' ' A' ' 42' ' ' TRP . 5.2 p -61.77 -25.97 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.54 -48.04 17.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.3 mt -60.45 -49.23 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.689 HG22 ' HE3' ' A' ' 68' ' ' LYS . 4.7 t -59.0 -42.16 85.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.614 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 14.0 t80 -60.6 -33.61 73.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 t -89.19 -7.03 56.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.689 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -94.44 -24.08 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 65' ' ' VAL . 19.4 m -90.29 -30.12 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.727 ' HB3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -95.04 178.52 5.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -113.25 144.04 43.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -40.3 -30.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.421 ' N ' ' C ' ' A' ' 71' ' ' ALA . 28.0 p -72.92 -73.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.47 145.53 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -113.26 -2.08 14.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.27 162.36 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.727 HG22 ' HB3' ' A' ' 70' ' ' LYS . 36.0 pt -115.79 150.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -105.59 160.11 15.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 18' ' ' GLU . 19.3 t80 -46.57 -26.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -76.07 -35.86 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 78' ' ' ASN . 27.8 mt-10 -90.24 -24.68 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 13.5 t80 -73.6 -28.66 61.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -28.89 61.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.89 -42.5 90.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.638 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.39 -44.97 93.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.717 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 43.1 mt -57.31 -31.5 65.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.565 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -71.39 -38.21 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -75.0 -30.42 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.503 HD11 HG23 ' A' ' 62' ' ' VAL . 55.5 mt -94.98 -8.87 35.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -64.75 -58.91 4.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 p -76.96 -41.93 41.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.786 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 12.7 mtpt -57.71 -20.32 33.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 52.2 tpt85 -100.34 -54.2 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.974 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.1 m-85 -88.25 93.82 9.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 24.22 -120.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -129.76 33.96 2.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 96' ' ' GLY . 28.4 mttt -53.1 -172.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m -81.77 162.54 22.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.047 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -57.46 -44.94 85.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 104' ' ' ASP . 3.0 mm-40 -72.89 -52.65 13.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.66 -51.45 67.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -52.91 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 49.4 t80 -62.13 -32.76 73.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -71.88 -22.93 61.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.974 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -84.19 -45.99 12.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.525 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.3 tt -65.98 -34.49 70.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.524 ' SG ' HD22 ' A' ' 17' ' ' LEU . 34.0 m -68.93 -31.4 70.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.293 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -71.07 -15.43 62.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 106' ' ' ILE . 64.3 mt -84.07 -34.74 24.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.775 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.9 mt -94.12 -62.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.432 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -41.63 111.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 107.86 -41.01 2.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -73.69 169.09 18.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.49 ' O ' HD11 ' A' ' 118' ' ' ILE . 6.6 pm0 -149.72 156.71 38.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.674 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 18.2 Cg_endo -74.98 -158.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 115' ' ' PRO . . . 82.05 -157.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.36 -34.79 65.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.49 HD11 ' O ' ' A' ' 114' ' ' GLU . 66.1 mt 66.73 104.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -166.12 57.16 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.6 m -116.94 -173.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.8 m 62.44 158.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -177.34 59.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -104.37 177.1 4.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -111.53 156.15 22.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.5 m -65.65 -62.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 127.53 -136.33 9.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.3 170.33 36.02 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -119.85 -173.01 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.62 HG23 ' N ' ' A' ' 130' ' ' ASP . 9.7 m -66.12 -144.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.62 ' N ' HG23 ' A' ' 129' ' ' VAL . 6.6 p-10 172.01 170.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -125.94 -68.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 133' ' ' THR . 0.3 OUTLIER 71.92 -60.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.425 ' N ' ' HG ' ' A' ' 132' ' ' LEU . 41.5 p -62.05 99.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -169.79 122.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 24.1 m -128.25 -71.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.65 99.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -157.92 147.56 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -147.31 113.7 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 53.6 m -122.67 118.56 28.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.443 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 157.27 87.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.4 t -176.65 157.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 171.46 17.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.623 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -174.67 -68.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 70.89 148.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -119.27 158.8 25.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.65 158.45 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -99.6 165.45 20.22 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.05 3.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.73 163.64 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.22 170.56 9.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.957 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 123' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -73.96 149.83 41.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.743 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.92 89.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.02 80.35 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -130.72 84.65 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 0.756 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.1 137.69 18.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.44 -71.18 0.3 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.36 92.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.6 82.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.95 -162.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.76 -147.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 13' ' ' ASP . 3.2 t -84.67 -49.18 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.461 ' N ' ' CG2' ' A' ' 12' ' ' THR . 2.3 p30 -95.85 160.26 14.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 45.5 mm -41.65 -76.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 73.89 74.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.01 -24.25 0.47 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD22 ' SG ' ' A' ' 107' ' ' CYS . 57.3 tp -57.95 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.375 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.16 -26.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -73.57 -46.18 48.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB2' HG22 ' A' ' 110' ' ' ILE . 51.0 m -69.0 -42.27 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CE2' ' SD ' ' A' ' 37' ' ' MET . 6.2 t80 -54.72 -53.02 60.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -54.26 -45.38 72.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -50.24 -43.04 52.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.74 ' CD1' HD13 ' A' ' 45' ' ' LEU . 21.6 m-85 -82.86 -22.56 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.862 ' HB2' ' SD ' ' A' ' 37' ' ' MET . . . -75.05 -46.74 32.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.8 pt -89.41 24.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 115' ' ' PRO . 0.8 OUTLIER -99.76 98.63 9.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.572 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.78 -42.87 1.12 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -127.38 134.33 26.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -24.49 12.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' ALA . 14.2 mttm -68.63 -32.8 72.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -39.71 132.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.4 t -96.4 -15.13 21.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' HA3' ' CD ' ' A' ' 22' ' ' ARG . . . 93.41 23.06 25.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -113.37 -4.27 13.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -134.49 151.11 50.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.862 ' SD ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -142.89 137.58 29.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -94.04 143.65 26.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.713 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -57.22 -17.36 23.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -72.3 -40.06 67.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' LEU . 1.4 m120 -83.15 -40.5 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.955 ' NE1' HG22 ' A' ' 62' ' ' VAL . 2.4 t-105 -52.02 -44.69 64.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 107.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' CYS . . . -69.08 -60.87 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -49.81 -24.65 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.74 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.8 tp -78.4 -31.99 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -72.65 -12.7 61.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 108.271 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -46.56 4.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.84 -43.15 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 m -82.76 -12.88 57.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm 71.53 42.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.279 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.544 HG12 HD11 ' A' ' 106' ' ' ILE . 2.6 t -82.74 -41.27 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . . . -91.27 -166.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -173.06 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.832 ' O ' HG22 ' A' ' 58' ' ' THR . . . 122.71 -25.12 6.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -84.43 -76.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -71.2 -38.81 72.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLY . 25.0 t -124.71 119.85 57.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.832 HG22 ' O ' ' A' ' 54' ' ' GLY . 57.6 p -106.4 140.56 39.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -48.6 -21.82 2.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.647 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -74.27 -28.97 61.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -79.78 -50.59 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.955 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.3 p -57.36 -34.66 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -72.01 -48.3 45.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.647 HD12 ' O ' ' A' ' 60' ' ' THR . 36.0 mt -63.62 -49.62 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -52.03 -49.03 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.713 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 2.3 t80 -58.61 -33.79 70.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.9 t -89.71 0.06 57.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -104.22 -23.64 13.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 65' ' ' VAL . 11.0 m -85.31 -42.34 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' VAL . 16.8 pttp -56.67 -164.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.32 -153.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -20.73 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.5 t -142.68 -88.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 54.1 171.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.769 ' O ' HG13 ' A' ' 76' ' ' VAL . 6.9 ptt180 -137.82 13.06 2.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -164.3 172.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 pt -129.13 155.11 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.2 p30 -104.07 158.54 16.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -43.06 -46.87 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -55.73 -36.95 67.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' ASN . 53.7 mt-10 -83.06 -23.51 33.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.679 ' CE2' HD11 ' A' ' 86' ' ' LEU . 47.3 t80 -73.61 -34.25 64.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -74.91 -27.54 60.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -66.28 -47.57 73.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.559 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -61.14 -44.5 97.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.679 HD11 ' CE2' ' A' ' 82' ' ' PHE . 39.2 mt -52.29 -42.6 63.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 16.8 mt-10 -59.19 -50.02 75.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 5.7 mm-40 -62.99 -26.67 68.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 62' ' ' VAL . 53.3 mt -99.3 2.1 45.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.26 -56.59 4.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.1 p -77.19 -19.08 57.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.938 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 9.0 mtpt -85.79 -23.87 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 45.0 tpt85 -89.01 -66.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.928 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 68.6 m-85 -75.16 175.85 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.28 -148.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -86.55 24.75 8.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 96' ' ' GLY . 13.5 mttt -48.93 177.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.5 m -79.91 160.28 26.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -50.95 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 104' ' ' ASP . 14.7 mt-10 -68.1 -49.5 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -55.5 -51.7 66.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.72 95.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.605 ' O ' HG22 ' A' ' 106' ' ' ILE . 52.9 t80 -67.96 -35.16 77.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -77.34 -36.33 53.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.928 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -63.12 -39.86 95.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.643 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.8 tt -73.14 -27.88 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.473 ' SG ' HD22 ' A' ' 17' ' ' LEU . 17.6 m -71.09 -32.45 69.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -71.39 -14.04 62.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 106' ' ' ILE . 65.7 mt -82.34 -38.28 24.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.775 HG22 ' HB2' ' A' ' 20' ' ' SER . 4.5 mt -93.22 -60.53 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.415 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -41.13 105.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.76 -46.07 1.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.6 mttm -64.88 165.48 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.41 156.55 36.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.0 0.9 8.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.72 -169.49 1.56 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.1 t30 44.48 82.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 118' ' ' ILE . 3.3 mp -93.48 57.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -138.68 56.46 0.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 120' ' ' VAL . 11.1 m -101.9 100.26 10.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.411 HG23 ' O ' ' A' ' 121' ' ' THR . 8.9 t -127.87 117.67 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -172.19 84.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 1' ' ' GLY . . . -146.0 152.37 39.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.24 161.16 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 81.4 p -39.73 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -101.89 -107.32 3.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 98.61 -131.15 10.47 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 64.41 164.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 129' ' ' VAL . 35.2 m -139.4 98.08 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -106.63 117.7 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.51 172.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 173.66 141.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 24.3 m 43.56 75.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.42 115.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 136' ' ' SER . 4.1 t -157.34 -49.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.426 ' N ' HG23 ' A' ' 135' ' ' THR . 3.2 m -60.92 -56.48 20.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 tttp 54.9 90.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -154.64 120.06 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 43.1 p -83.18 121.83 27.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -69.44 91.01 0.3 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.2 t -130.46 114.6 15.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -145.3 155.86 43.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.93 161.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.39 112.14 19.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -171.1 91.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.24 126.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.055 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -148.05 79.33 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -41.93 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 66.5 m -147.96 94.45 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.0 t -166.14 -60.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -119.87 129.31 54.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.64 100.43 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.5 119.86 0.9 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -169.89 170.71 7.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.14 -59.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.12 67.2 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 38.26 87.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.99 114.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.59 135.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m -147.42 110.34 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -168.79 -47.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.385 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.41 169.43 9.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.629 HG22 ' H ' ' A' ' 15' ' ' ALA . 1.2 mm -104.27 -156.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.629 ' H ' HG22 ' A' ' 14' ' ' ILE . . . -178.75 77.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.59 -13.12 2.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.775 HD22 ' SG ' ' A' ' 107' ' ' CYS . 59.8 tp -51.16 -74.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 10.7 tt0 -46.98 -30.15 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -69.1 -36.83 77.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' HG22 ' A' ' 110' ' ' ILE . 67.8 m -75.67 -49.02 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' ALA . 31.1 t80 -50.05 -52.61 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' NH1' ' OE1' ' A' ' 18' ' ' GLU . 2.8 mtt180 -48.93 -47.67 43.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 17.7 mttm -52.11 -53.01 47.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.96 ' CD1' HD13 ' A' ' 45' ' ' LEU . 45.8 m-85 -70.46 -25.42 63.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -73.57 -47.93 36.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.583 HG23 ' HA2' ' A' ' 34' ' ' GLY . 4.7 pt -92.13 16.58 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -54.98 115.77 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.623 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.75 57.75 17.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -168.38 106.8 0.53 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -24.49 12.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -36.71 51.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 26' ' ' ILE . . . -50.58 126.58 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -92.01 -6.55 50.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.583 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . 84.44 36.11 12.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' OD1' ' A' ' 78' ' ' ASN . 4.9 mt-30 -115.43 -30.79 6.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -114.81 157.34 23.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.2 ttm -143.22 133.66 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -84.92 143.3 29.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.591 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.15 -32.15 6.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -42.54 83.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -76.64 -27.96 55.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.871 ' NE1' HG22 ' A' ' 62' ' ' VAL . 3.2 t-105 -70.2 -70.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.12 -54.7 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -54.07 -40.85 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.96 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.5 tp -66.08 -25.51 67.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.524 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 13.6 m -93.62 37.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -142.74 -68.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.62 -26.54 56.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.503 ' SG ' HD12 ' A' ' 45' ' ' LEU . 56.8 m -84.75 6.49 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 108.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.9 mptt 59.6 40.41 20.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.75 ' HA ' HD23 ' A' ' 109' ' ' LEU . 1.5 t -91.53 -40.89 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -105.63 -178.35 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.29 -42.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.778 ' O ' HG22 ' A' ' 58' ' ' THR . . . 125.14 -23.2 6.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.19 -79.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.666 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.59 -42.4 98.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.74 125.55 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.778 HG22 ' O ' ' A' ' 54' ' ' GLY . 44.4 p -108.23 140.6 41.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.01 -21.4 2.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.499 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -77.51 -29.37 52.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.356 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -78.94 -48.08 15.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.871 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.7 p -58.28 -37.21 61.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.53 -45.21 84.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 60' ' ' THR . 27.7 mt -63.88 -49.01 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -54.27 -45.36 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.591 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 32.9 t80 -60.71 -32.38 71.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 t -90.74 -4.87 56.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -21.66 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 65' ' ' VAL . 13.6 m -93.82 -35.33 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.12 -175.36 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -126.55 148.79 49.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -40.31 -29.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' ALA . 0.6 OUTLIER -74.82 -74.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.68 145.14 9.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.66 -10.68 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.6 m -122.31 168.83 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.3 pt -125.22 146.91 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' GLU . 36.3 m-20 -97.4 160.36 14.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 21.7 t80 -44.36 -32.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.87 -41.35 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' ASN . 36.6 mt-10 -82.89 -14.02 55.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.604 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 39.9 t80 -82.42 -34.04 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -72.3 -29.59 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -60.58 -57.11 14.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.6 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -52.15 -44.6 64.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.77 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 80.6 mt -57.27 -29.84 64.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.435 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -74.59 -36.84 63.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 61.0 mm-40 -76.12 -29.79 57.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.864 HD11 HG23 ' A' ' 62' ' ' VAL . 65.4 mt -94.93 -17.94 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -52.42 -61.52 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.44 ' O ' ' O ' ' A' ' 95' ' ' LYS . 45.3 p -69.73 -48.13 60.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.433 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.666 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 14.7 mtpt -55.35 -24.8 31.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 47.7 tpt85 -89.02 -52.76 4.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.79 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 82.9 m-85 -96.39 94.35 7.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 25.13 -119.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -129.82 35.7 2.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 96' ' ' GLY . 12.5 mttt -54.39 -169.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.8 m -83.49 158.74 21.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -55.63 -42.52 75.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.29 -52.49 10.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.58 -51.72 66.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.87 63.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.459 ' CE2' ' SG ' ' A' ' 107' ' ' CYS . 64.3 t80 -60.76 -36.51 79.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -28.39 68.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.79 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -78.86 -55.36 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.819 ' HA ' HD22 ' A' ' 109' ' ' LEU . 6.8 tt -57.2 -36.14 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.775 ' SG ' HD22 ' A' ' 17' ' ' LEU . 1.3 m -58.1 -33.8 69.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.48 -39.05 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.819 HD22 ' HA ' ' A' ' 106' ' ' ILE . 0.4 OUTLIER -48.29 -37.16 15.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.628 HG23 HD11 ' A' ' 45' ' ' LEU . 3.5 mt -98.28 -65.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . . . -39.72 123.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.2 -37.77 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.5 mttm -78.62 157.6 28.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.402 ' HG2' ' CD ' ' A' ' 23' ' ' LYS . 19.3 mt-10 -129.83 155.07 81.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -74.99 1.3 7.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.32 111.37 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 174.92 76.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 118' ' ' ILE . 2.7 mp 45.39 60.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.33 108.14 0.35 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 34.6 m -108.35 -169.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.0 m -46.26 154.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -173.51 109.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -127.52 172.48 10.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.86 115.08 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.8 t -108.6 142.66 38.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 134.05 165.44 10.97 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 91.77 -118.73 5.55 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 50.82 87.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.474 HG13 ' O ' ' A' ' 129' ' ' VAL . 7.7 p -122.92 116.09 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.8 t0 62.28 163.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.829 ' O ' HD12 ' A' ' 132' ' ' LEU . 1.2 mtt180 177.18 168.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -169.64 99.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.42 120.44 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.459 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -128.6 140.95 51.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 95.9 m -111.96 71.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.433 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.0 m -55.12 -55.65 28.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.22 176.19 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -169.95 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 72.3 p -113.58 116.11 29.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.354 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -148.75 127.55 2.55 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 81.1 p -142.01 147.13 36.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.88 145.74 37.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.566 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.3 132.11 5.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.38 52.9 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -122.37 163.67 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 40.5 t 60.53 116.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 178.39 99.81 0.13 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 160.68 39.87 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.48 -62.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 80.3 p -149.92 153.83 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p -129.95 139.78 51.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.761 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -132.49 164.9 25.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.5 -133.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -162.29 172.97 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -154.26 144.09 21.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.21 134.22 4.33 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.06 148.41 22.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 0.805 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.34 95.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.91 117.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.16 100.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 13' ' ' ASP . 15.3 t -88.23 -51.72 5.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' N ' HG23 ' A' ' 12' ' ' THR . 3.0 p-10 -80.07 168.16 19.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.692 HG22 ' N ' ' A' ' 15' ' ' ALA . 1.9 mp -39.87 -85.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.692 ' N ' HG22 ' A' ' 14' ' ' ILE . . . 77.94 83.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.53 -13.36 2.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.646 HD22 ' SG ' ' A' ' 107' ' ' CYS . 20.8 tp -51.91 -64.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 11.2 tt0 -54.46 -32.99 58.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -63.71 -50.5 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.629 ' HB3' HG22 ' A' ' 110' ' ' ILE . 18.6 t -60.86 -46.35 90.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' ALA . 19.5 t80 -51.09 -53.92 29.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.474 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -50.48 -47.49 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -49.87 -53.87 23.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.985 ' CD2' HD13 ' A' ' 45' ' ' LEU . 47.5 m-85 -72.33 -25.68 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -71.16 -47.54 57.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 pt -87.43 12.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 38.2 t-80 -49.65 114.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.606 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.76 64.26 4.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.468 ' OD2' ' HB2' ' A' ' 32' ' ' ALA . 61.1 t0 176.92 103.71 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.39 10.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -70.2 -25.42 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -65.53 132.47 48.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -103.54 -0.7 29.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 86.26 37.32 9.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -113.59 -14.28 12.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -133.54 150.21 51.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ILE . 21.8 ttm -138.25 117.27 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.4 m-20 -74.28 143.33 45.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.583 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.84 -35.92 13.06 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -32.94 74.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' ASN . 48.0 m-20 -85.49 -35.74 20.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.821 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.6 t-105 -65.61 -60.45 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.74 -48.78 66.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.22 -48.99 79.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.985 HD13 ' CD2' ' A' ' 24' ' ' PHE . 10.9 tp -57.17 -30.61 64.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' ALA . 81.2 m -84.21 5.13 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.341 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.813 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -113.95 -54.6 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -32.44 70.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 92.0 m -91.01 15.75 10.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.87 51.12 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.5 t -95.12 -28.58 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.813 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -110.56 80.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -53.72 -35.27 60.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.955 ' O ' HG22 ' A' ' 58' ' ' THR . . . 112.02 -33.62 5.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -74.49 -75.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.683 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -64.65 -41.23 96.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.421 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 3.1 t -119.49 122.37 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.955 HG22 ' O ' ' A' ' 54' ' ' GLY . 69.7 p -112.35 142.28 45.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.551 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -44.21 -23.98 0.52 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.481 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -72.63 -35.47 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -74.66 -50.1 18.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.87 HG23 HD11 ' A' ' 89' ' ' LEU . 4.6 p -60.54 -37.03 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.68 -42.14 98.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 60' ' ' THR . 28.7 mt -71.78 -47.36 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.4 t -54.18 -47.46 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.6 t80 -59.51 -33.06 70.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 t -91.53 -5.55 53.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.533 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.1 -22.67 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 65' ' ' VAL . 23.6 m -87.46 -34.28 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 66' ' ' PHE . 1.1 pttp -91.09 -160.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.49 179.3 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.91 -11.71 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.1 -74.93 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.9 151.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -2.09 8.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.6 160.94 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.9 pt -120.52 154.73 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -107.15 159.94 15.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.7 t80 -41.75 -28.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -73.12 -48.68 33.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 78' ' ' ASN . 49.4 mt-10 -77.28 -16.67 58.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.699 ' CE2' HD11 ' A' ' 86' ' ' LEU . 11.8 t80 -82.36 -32.81 29.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -72.07 -29.61 64.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -62.52 -55.24 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.598 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -50.32 -48.03 55.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.699 HD11 ' CE2' ' A' ' 82' ' ' PHE . 97.5 mt -53.81 -39.8 65.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.579 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.6 mt-10 -63.32 -36.27 83.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 56.1 mm-40 -76.88 -26.36 54.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.87 HD11 HG23 ' A' ' 62' ' ' VAL . 61.1 mt -98.68 -0.61 42.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -77.56 -57.74 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.1 p -76.81 -21.77 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.374 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.683 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 23.6 mtpt -82.01 -21.66 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 19.9 tpt85 -97.19 -66.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.896 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 72.9 m-85 -75.49 91.42 2.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.615 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 22.19 -124.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -122.41 36.35 3.19 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 96' ' ' GLY . 11.3 mttm -54.45 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 0.795 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 10.6 m -82.93 161.98 21.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -60.17 -42.07 94.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.9 mt-10 -73.94 -53.39 10.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 105' ' ' ALA . 1.2 mt-10 -58.5 -52.07 67.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -54.89 -41.58 71.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.579 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 80.1 t80 -75.19 -29.6 60.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.2 OUTLIER -79.55 -22.19 44.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -81.13 -33.3 33.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.576 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.8 tt -78.48 -32.12 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.646 ' SG ' HD22 ' A' ' 17' ' ' LEU . 84.9 m -68.81 -36.1 77.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 108.294 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -67.17 -15.34 63.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 106' ' ' ILE . 77.4 mt -83.05 -39.04 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.629 HG22 ' HB3' ' A' ' 20' ' ' SER . 6.6 mt -87.02 -66.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.606 ' CB ' HG23 ' A' ' 14' ' ' ILE . . . -39.04 125.55 1.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.11 -40.04 2.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -75.17 164.72 26.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.89 156.71 35.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -74.98 -158.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.554 1.818 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 115' ' ' PRO . . . 71.68 -173.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.53 73.92 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.0 -160.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 56.96 99.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 16.8 t -42.47 111.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.4 t -166.94 153.96 8.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.387 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.58 149.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.29 145.74 25.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.11 149.01 31.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 14.8 m -107.82 148.99 28.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -48.53 176.58 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -138.62 164.09 25.74 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.9 174.93 10.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 55.5 t -131.29 129.82 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -67.25 83.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -151.2 171.43 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.86 106.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.14 153.57 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 t70 176.22 146.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.5 m -147.43 82.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.04 -58.95 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.39 -63.61 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 47.66 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 18.6 m -91.92 140.35 29.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.381 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.94 131.16 10.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 14.3 m -104.37 148.6 26.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.8 p-80 -121.48 -61.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.571 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.16 156.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.02 132.49 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.75 145.88 41.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.9 t -158.09 166.77 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -149.92 136.03 5.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.76 4.39 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.8 p -133.56 154.01 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.3 p -133.68 169.2 17.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.74 100.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.034 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -43.91 127.45 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.68 -59.33 0.42 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -55.91 143.92 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.84 171.42 20.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.81 125.0 2.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ptm -82.65 171.58 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.86 165.31 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.86 178.77 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.29 93.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -122.73 -46.58 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 179.3 4.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.432 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 24.5 mm -49.33 -68.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 65.7 69.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 165.02 -28.63 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.615 HD22 ' SG ' ' A' ' 107' ' ' CYS . 45.4 tp -57.21 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 7.2 tt0 -48.19 -24.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -73.92 -34.19 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.92 -44.21 15.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' ALA . 33.1 t80 -50.04 -52.62 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.462 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -52.0 -47.45 64.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -50.26 -48.67 54.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.857 ' CD1' HD13 ' A' ' 45' ' ' LEU . 39.9 m-85 -76.54 -26.83 55.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -71.13 -47.98 54.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pt -93.45 16.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 27' ' ' HIS . 1.8 t-80 -52.94 100.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.628 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.86 -55.24 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -60.86 111.13 3.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.94 8.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -69.28 -52.93 22.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -38.16 130.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.4 m -107.33 -5.43 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 105.78 31.08 4.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -110.46 -4.59 15.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.15 152.68 38.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ILE . 13.0 ttm -145.47 120.35 9.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 41' ' ' ASN . 2.0 m-20 -73.64 143.35 46.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.575 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -46.44 -39.63 10.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -63.25 -37.19 86.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASN . 38.7 m-20 -82.05 -6.74 59.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.776 ' HE1' HG22 ' A' ' 62' ' ' VAL . 3.3 t-105 -96.47 -62.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 108.01 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.02 -44.2 67.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -61.33 -46.89 88.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.857 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.3 tp -55.28 -28.56 54.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.507 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 66.3 m -77.24 -54.04 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.708 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -58.75 -36.54 74.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -30.93 64.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 66.4 m -99.79 15.51 26.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' CYS . 6.4 mmtm 43.71 47.17 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.9 t -90.69 -35.63 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.708 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -102.01 66.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -40.67 -37.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.854 ' O ' HG22 ' A' ' 58' ' ' THR . . . 115.08 -35.06 4.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -75.12 -76.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.89 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -67.05 -34.21 77.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 52' ' ' ALA . 25.5 t -123.19 117.64 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.854 HG22 ' O ' ' A' ' 54' ' ' GLY . 61.0 p -107.37 141.33 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.465 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -43.91 -24.99 0.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 64' ' ' ILE . 2.8 m -76.03 -38.82 56.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.743 . . . . 0.0 110.426 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.1 m-20 -67.8 -46.65 71.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.801 HG23 HD11 ' A' ' 89' ' ' LEU . 10.5 p -64.31 -44.82 97.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -52.98 60.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 60' ' ' THR . 16.9 mt -58.71 -47.17 89.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.528 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 5.0 t -53.64 -47.02 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 13.4 t80 -59.62 -33.51 71.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.94 -3.96 56.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -19.6 19.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -95.96 -21.13 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 71' ' ' ALA . 0.3 OUTLIER -104.32 -173.92 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' O ' ' CE ' ' A' ' 70' ' ' LYS . . . -108.18 -166.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -16.44 28.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.08 -60.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.29 149.16 5.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.75 7.96 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.39 155.47 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' MET . 1.4 pt -116.61 153.66 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 81' ' ' GLU . 3.7 m120 -103.92 158.29 16.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 19.7 t80 -39.98 -37.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.67 -48.6 74.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' ASN . 95.7 mt-10 -74.81 -14.01 60.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.667 ' CE2' HD11 ' A' ' 86' ' ' LEU . 39.4 t80 -82.11 -37.57 26.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -68.48 -30.29 69.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -60.34 -58.05 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -49.5 -47.36 48.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.667 HD11 ' CE2' ' A' ' 82' ' ' PHE . 82.9 mt -53.24 -40.07 64.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.577 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.9 mt-10 -64.62 -37.18 86.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -76.71 -27.44 55.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.801 HD11 HG23 ' A' ' 62' ' ' VAL . 48.1 mt -98.16 -0.2 44.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.539 ' HB1' ' C ' ' A' ' 102' ' ' ALA . . . -75.75 -57.3 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.8 p -74.33 -21.66 59.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.89 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 8.6 mtpt -84.22 -22.95 30.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 21.0 tpt85 -89.1 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.719 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 90.0 m-85 -80.33 -175.0 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -156.87 161.31 39.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.87 17.83 3.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -99.89 -127.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -164.61 176.1 9.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -59.22 -48.25 82.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 104' ' ' ASP . 21.8 mt-10 -77.37 -44.79 28.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.12 -52.84 63.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.539 ' C ' ' HB1' ' A' ' 90' ' ' ALA . . . -59.99 -28.66 67.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.652 ' O ' HG22 ' A' ' 106' ' ' ILE . 82.1 t80 -82.85 -35.99 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.2 OUTLIER -77.33 -27.39 52.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.719 ' HB1' ' CZ ' ' A' ' 94' ' ' PHE . . . -75.47 -35.34 60.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 103' ' ' PHE . 5.8 tt -73.05 -28.02 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.615 ' SG ' HD22 ' A' ' 17' ' ' LEU . 35.2 m -73.69 -28.0 61.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 108.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.04 -8.23 53.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 106' ' ' ILE . 19.6 mt -93.8 -16.73 23.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLY . 4.7 mt -113.76 -59.77 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.432 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -44.83 96.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 124.25 -42.31 1.58 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -69.66 157.57 37.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -134.98 155.0 79.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.544 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.5 Cg_endo -74.94 1.03 8.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.04 178.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -106.35 -47.23 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 118' ' ' ILE . 10.7 mm -85.06 52.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -144.38 88.33 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.3 p -145.18 152.84 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.7 m -130.65 123.25 28.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.1 tttm 59.55 79.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -110.5 143.14 41.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 149.34 50.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.4 m -140.76 93.99 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -176.31 -176.96 44.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.51 142.18 17.42 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -137.91 173.68 11.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 129' ' ' VAL . 8.4 p -97.75 118.23 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -126.57 141.86 51.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.604 ' O ' HD12 ' A' ' 132' ' ' LEU . 4.0 mtt180 177.96 166.55 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 131' ' ' ARG . 0.1 OUTLIER -169.46 169.59 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.3 t -98.69 134.01 42.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.12 135.35 37.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.9 m -130.45 94.51 3.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.9 p -103.04 118.6 37.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.72 101.13 5.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -79.24 130.87 35.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 20.1 m -106.51 138.41 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -147.21 116.25 0.83 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.38 129.23 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 110.045 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -122.5 -63.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.63 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 37.3 tttt 65.8 137.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.51 162.44 27.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -134.66 136.69 43.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 36.4 p -178.66 148.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -176.91 140.21 4.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.86 21.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.93 157.94 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.1 t -119.58 133.34 55.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.985 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -73.72 157.14 37.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 p -138.45 171.47 14.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.45 -170.88 33.69 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.09 96.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.83 103.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.055 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.6 -156.81 7.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.31 147.34 28.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . -128.76 82.75 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . 178.39 147.09 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.659 ' O ' HG22 ' A' ' 12' ' ' THR . 0.4 OUTLIER -172.41 89.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER 87.8 -29.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -108.61 145.56 34.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.67 HG21 ' HB2' ' A' ' 17' ' ' LEU . 27.7 mm -42.48 -80.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 70.63 77.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.45 -20.75 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.67 ' HB2' HG21 ' A' ' 14' ' ' ILE . 60.4 tp -59.27 -77.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 4.5 tt0 -47.39 -27.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -71.17 -36.03 71.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.476 ' OG ' HG22 ' A' ' 110' ' ' ILE . 1.1 p -80.7 -46.78 15.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 25' ' ' ALA . 32.3 t80 -49.61 -52.81 27.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -44.39 37.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -57.46 -44.98 85.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.856 ' CD2' HD13 ' A' ' 45' ' ' LEU . 37.3 m-85 -77.04 -22.85 52.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -78.92 -47.17 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 pt -90.66 22.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -77.49 107.24 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.51 -60.66 0.35 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.12 114.56 49.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.06 13.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' ALA . 3.5 mttm -69.35 -40.13 77.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -39.26 138.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -106.05 -5.92 19.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.21 28.57 9.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -115.98 -3.58 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -140.3 144.94 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.1 ttm -136.62 116.12 12.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.91 143.9 45.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.584 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -50.47 -36.59 31.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -27.75 68.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -91.69 -38.87 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.834 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.7 t-105 -62.78 -69.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.36 -55.02 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -56.28 -40.99 75.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.856 HD13 ' CD2' ' A' ' 24' ' ' PHE . 10.4 tp -63.12 -26.95 69.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 70.8 m -79.75 -11.33 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -105.19 -49.64 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -33.35 64.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.451 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 53.6 m -94.15 16.25 15.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 108.257 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mptt 45.72 40.69 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.1 t -79.47 -38.84 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB3' ' CE ' ' A' ' 47' ' ' LYS . . . -96.81 -174.85 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -170.84 -42.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.753 ' O ' HG22 ' A' ' 58' ' ' THR . . . 124.6 -21.47 6.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -83.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.766 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -62.04 -40.21 94.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.89 121.42 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.753 HG22 ' O ' ' A' ' 54' ' ' GLY . 70.6 p -103.4 140.08 37.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -49.24 -21.37 2.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 m -78.53 -29.28 46.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -73.84 -46.06 47.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.834 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.4 p -61.05 -36.59 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.95 -39.15 87.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.455 HG22 ' CD ' ' A' ' 68' ' ' LYS . 44.3 mt -71.75 -50.49 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.505 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.6 t -54.0 -49.1 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 33.2 t80 -54.86 -27.8 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.446 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 1.4 t -89.61 -23.81 21.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' CD ' HG22 ' A' ' 64' ' ' ILE . 12.0 mtpt -75.93 -39.45 56.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 70' ' ' LYS . 14.7 m -71.1 -49.84 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' HG23 ' A' ' 69' ' ' VAL . 5.4 pttp -74.18 176.52 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -106.75 169.71 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -10.71 53.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.4 t -98.85 -65.18 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.05 148.46 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -29.43 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.2 m -106.3 178.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.8 pt -130.78 141.32 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.5 OUTLIER -91.98 158.34 16.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 13.2 t80 -38.97 -62.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -49.64 -34.16 17.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' ASN . 50.1 mt-10 -82.66 -21.9 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 6.6 t80 -81.07 -25.7 36.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.515 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 4.3 mtmt -74.22 -33.14 63.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -56.57 -48.29 77.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.704 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -56.1 -47.99 77.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.758 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 88.7 mt -55.29 -36.31 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' OE2' ' CE ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.23 -31.15 69.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -84.44 -29.01 26.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.668 HD11 HG23 ' A' ' 62' ' ' VAL . 50.5 mt -99.11 1.46 45.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -74.73 -55.93 5.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.5 p -77.04 -20.16 56.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.766 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 8.8 mtpt -86.21 -15.97 39.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 35.3 tpt85 -97.65 -66.72 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.762 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 67.2 m-85 -78.38 93.0 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' A' ' 94' ' ' PHE . 8.4 mtmm 29.53 -125.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -124.34 35.08 3.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.145 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 96' ' ' GLY . 14.5 mttt -54.72 -169.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -175.76 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' CE ' ' OE2' ' A' ' 87' ' ' GLU . 5.6 tttm -78.89 -49.1 13.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.41 -45.27 26.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.66 -51.25 67.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -58.08 -55.85 29.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.635 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.6 OUTLIER -54.8 -43.59 73.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -21.8 63.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.762 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -84.94 -30.53 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 103' ' ' PHE . 1.8 tt -79.51 -27.38 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 24.7 m -72.49 -23.42 61.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.37 -15.19 53.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 106' ' ' ILE . 65.9 mt -83.99 -29.21 27.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.476 HG22 ' OG ' ' A' ' 20' ' ' SER . 4.9 mt -100.38 -61.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -43.59 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 122.51 -44.74 1.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -65.29 172.39 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -146.62 157.35 48.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo -74.96 1.51 7.63 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.61 -171.76 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 40.33 77.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.7 mp -94.96 84.34 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -141.89 74.14 0.35 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 31.4 m -104.63 -169.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.7 m -144.48 142.1 30.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 51.84 94.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -106.23 115.91 31.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.71 113.39 24.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.7 m -122.53 122.07 38.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -133.61 -149.2 6.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.21 79.14 1.45 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 60.23 160.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.757 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 129' ' ' VAL . 78.4 t -103.11 71.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 55.06 95.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.93 161.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.23 -89.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.8 t -172.96 125.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.78 168.42 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 54.1 m 57.74 93.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.8 t -175.59 92.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -155.77 71.42 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -128.78 79.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.6 -61.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 135.65 -168.49 23.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 26.7 p -175.48 85.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -142.21 137.06 30.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.55 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.0 163.69 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -101.02 160.09 14.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 146' ' ' SER . 34.9 ttt180 -154.6 145.71 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.404 ' N ' ' HG2' ' A' ' 145' ' ' ARG . 87.3 p -121.87 164.18 17.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.79 100.6 1.76 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.427 1.079 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -68.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.27 147.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.05 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 30.3 t -158.88 139.98 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 110.972 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -166.68 169.48 13.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 0.776 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t 66.6 140.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.64 -84.77 0.52 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.81 168.64 19.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -95.41 165.55 12.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.9 -146.08 16.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 mtm -155.32 167.99 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.18 172.92 10.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.35 169.59 16.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.0 p -162.92 110.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 t -104.7 -44.59 4.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' ILE . 9.0 p-10 -80.18 167.98 19.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' A' ' 17' ' ' LEU . 1.8 mp -39.14 -88.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.701 ' N ' HG22 ' A' ' 14' ' ' ILE . . . 80.34 84.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.83 -9.86 3.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.725 ' HB2' HG21 ' A' ' 14' ' ' ILE . 28.9 tp -46.84 -68.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.512 ' CG ' ' CE1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -54.44 -31.44 55.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -54.31 48.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.781 ' OG ' HG22 ' A' ' 110' ' ' ILE . 9.2 p -61.39 -46.69 89.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -49.86 -53.18 27.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -44.92 62.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -55.17 -51.24 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.052 ' CD1' HD13 ' A' ' 45' ' ' LEU . 28.4 m-85 -69.14 -31.74 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -62.06 -47.58 84.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.491 HG23 ' HA2' ' A' ' 34' ' ' GLY . 10.6 pt -89.44 12.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 20.2 t-80 -39.69 109.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.55 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.82 59.61 10.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' HB3' ' CB ' ' A' ' 32' ' ' ALA . 2.9 m-20 -161.94 102.94 1.15 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.87 15.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -84.82 -42.56 15.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 29' ' ' ASP . . . -42.75 126.77 3.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -77.79 -29.2 50.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.491 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . 98.6 30.07 7.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -113.23 -4.96 13.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 3.5 mt-10 -133.91 150.48 51.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.4 ttm -133.25 115.71 15.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' HA ' HG12 ' A' ' 76' ' ' VAL . 1.5 m-20 -74.2 143.6 45.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.648 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.86 -22.41 2.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -76.32 -34.76 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ASN . 98.2 m-20 -87.11 -25.67 24.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.902 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.2 t-105 -71.64 -63.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.023 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.04 -43.98 67.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.04 87.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.052 HD13 ' CD1' ' A' ' 24' ' ' PHE . 16.1 tp -63.23 -28.77 70.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.561 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 24.2 m -92.62 30.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 108.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -142.32 -54.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -33.62 76.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.0 m -79.67 -1.37 37.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.92 40.49 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.7 t -90.49 -40.19 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -103.32 97.89 7.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.25 -32.99 65.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.736 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.79 -24.37 12.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.76 -80.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -57.67 -36.61 72.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 t -127.65 119.0 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.736 HG22 ' O ' ' A' ' 54' ' ' GLY . 77.2 p -106.1 141.34 37.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -47.77 -21.89 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.659 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -75.13 -28.91 60.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.38 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -79.2 -50.06 11.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.902 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -58.38 -33.56 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -68.15 -48.96 63.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 60' ' ' THR . 16.8 mt -63.2 -46.57 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.717 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.9 t -56.34 -49.88 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.648 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 5.3 t80 -57.27 -29.13 63.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -87.93 -23.76 23.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -29.43 32.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 65' ' ' VAL . 12.1 m -82.31 -33.75 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -87.96 167.97 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 72' ' ' LYS . . . -103.17 141.11 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 71' ' ' ALA . 21.9 tttm -39.84 -37.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -70.93 -58.49 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.72 145.76 55.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -23.3 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 38' ' ' ASN . 1.2 m -108.34 174.23 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 2.8 pt -125.02 150.9 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.491 ' OD1' ' CG ' ' A' ' 81' ' ' GLU . 8.4 p30 -105.13 159.34 15.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' CE1' ' CG ' ' A' ' 18' ' ' GLU . 16.7 t80 -38.35 -54.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -48.79 -41.94 34.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.491 ' CG ' ' OD1' ' A' ' 78' ' ' ASN . 67.6 mt-10 -74.63 -37.28 62.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 86' ' ' LEU . 68.9 t80 -57.37 -33.09 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 3.1 mtmt -77.7 -26.37 50.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -42.24 77.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.667 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -71.8 -41.16 68.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 82' ' ' PHE . 16.0 mt -57.64 -43.19 84.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.546 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.7 mt-10 -60.65 -46.02 91.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -64.62 -28.59 69.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.832 HD11 HG23 ' A' ' 62' ' ' VAL . 62.6 mt -99.52 2.52 44.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.46 -57.48 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.8 p -77.9 -30.31 50.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.79 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.3 mtpt -70.57 -29.55 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 41.3 tpt85 -87.71 -62.34 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.942 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 52.5 m-85 -78.88 89.19 4.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.528 ' C ' ' O ' ' A' ' 94' ' ' PHE . 1.8 pttt 28.75 -99.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -150.31 37.32 0.92 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.497 ' CG ' ' HE3' ' A' ' 95' ' ' LYS . 13.7 mttt -54.6 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.0 m -82.8 164.43 20.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -58.99 -43.38 91.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.19 -53.01 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.27 -52.66 63.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -53.98 -49.17 69.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 56.9 t80 -65.32 -38.53 90.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -21.31 63.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.942 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -85.44 -34.49 21.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.502 ' HA ' HD12 ' A' ' 109' ' ' LEU . 3.2 tt -80.38 -32.5 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.467 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 89.4 m -69.82 -31.91 70.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -73.98 -19.05 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 106' ' ' ILE . 65.3 mt -75.58 -44.49 42.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.781 HG22 ' OG ' ' A' ' 20' ' ' SER . 5.3 mt -83.11 -68.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.59 ' CB ' HG23 ' A' ' 14' ' ' ILE . . . -39.94 117.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.12 -37.81 3.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -75.01 175.2 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -141.25 154.6 67.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.05 1.54 7.65 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -42.05 162.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.98 -51.97 67.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.6 -160.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 163.95 140.69 2.93 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 120' ' ' VAL . 32.6 m -59.29 101.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 0.796 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.9 t -171.64 147.84 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.68 108.5 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -171.89 148.63 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.73 -69.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.6 m 44.27 83.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -137.67 162.07 25.46 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 124.74 82.77 0.53 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -175.22 171.9 2.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 60.5 t 58.65 83.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.47 160.04 33.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -147.29 162.61 38.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 131' ' ' ARG . 0.2 OUTLIER -177.34 160.42 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 22.1 m -121.61 138.69 54.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.8 169.84 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 135' ' ' THR . 3.1 m -155.14 75.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -50.49 -57.19 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.04 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.44 131.0 48.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.19 -50.58 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 10.2 p -133.77 -57.36 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 112.44 -138.36 14.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.91 150.39 28.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -91.76 105.16 17.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.629 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.18 142.98 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -161.56 141.84 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.19 96.16 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.9 p -117.22 165.87 12.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -141.74 -150.67 5.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.01 12.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.576 1.829 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.0 m -115.57 -59.74 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.4 m 64.03 150.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.44 154.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.98 -58.57 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.27 -90.84 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.573 1.17 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -161.63 164.81 29.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.96 -58.46 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.964 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.45 -120.22 0.94 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.74 151.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.0 118.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.1 161.51 28.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.96 100.51 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -66.39 -78.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -148.69 -50.72 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.538 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 21.5 mm -81.51 -70.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 73.13 71.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' C ' ' HA ' ' A' ' 111' ' ' ALA . . . 161.02 -26.26 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.652 HD22 ' SG ' ' A' ' 107' ' ' CYS . 54.9 tp -59.01 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 21.3 tt0 -47.2 -24.58 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -69.61 -48.15 61.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -38.13 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' ALA . 32.1 t80 -51.5 -57.14 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.571 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -50.28 -45.81 54.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -49.62 -50.59 42.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.731 ' CD1' HD13 ' A' ' 45' ' ' LEU . 40.9 m-85 -77.69 -24.48 49.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -73.12 -38.52 66.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.661 HG22 ' HB1' ' A' ' 32' ' ' ALA . 3.7 pt -83.88 8.64 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -75.71 121.56 22.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.662 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.04 -64.42 0.85 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.21 140.53 2.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -46.4 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 32' ' ' ALA . 5.0 mttt -93.92 -41.01 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.661 ' HB1' HG22 ' A' ' 26' ' ' ILE . . . 58.53 145.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.5 -13.05 8.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.36 21.77 74.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -129.74 6.1 5.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 3.2 mp0 -137.17 141.79 42.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.657 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 35.7 ttm -137.26 116.25 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -73.86 144.41 45.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -47.66 -37.66 14.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -30.68 71.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ASN . 83.2 m-20 -89.8 -36.93 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.907 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.7 t-105 -62.47 -48.87 77.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' SG ' ' A' ' 46' ' ' CYS . . . -66.68 -54.83 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -28.67 16.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.731 HD13 ' CD1' ' A' ' 24' ' ' PHE . 12.6 tp -78.33 -27.32 47.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -80.57 -10.83 59.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 108.279 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -104.86 -44.45 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -36.98 82.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' CB ' ' A' ' 113' ' ' LYS . 50.5 m -87.29 -12.23 47.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 0.6 OUTLIER 72.08 41.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.6 t -84.2 -41.6 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . . . -94.21 66.6 3.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 3.5 p-10 -40.61 -31.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 58' ' ' THR . . . 106.17 -20.98 34.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -84.11 -83.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.845 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.15 -26.71 67.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 52' ' ' ALA . 7.1 t -128.01 119.67 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 54' ' ' GLY . 25.2 p -108.25 142.0 39.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.438 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -48.12 -21.53 1.82 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.486 ' O ' HD12 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -74.88 -27.27 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -79.58 -49.83 11.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.907 HG22 ' NE1' ' A' ' 42' ' ' TRP . 3.8 p -56.82 -36.39 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -39.51 82.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.667 HG22 ' HD2' ' A' ' 68' ' ' LYS . 41.6 mt -70.87 -50.87 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.4 t -56.11 -48.35 79.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 32.5 t80 -54.4 -27.24 35.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.48 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -86.98 -22.97 25.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.667 ' HD2' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -80.13 -39.72 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 65' ' ' VAL . 11.6 m -68.6 -28.09 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 26.5 pttt -102.84 179.43 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -107.32 -175.51 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -81.9 -4.61 56.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.58 -76.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.08 148.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.41 -7.98 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.63 170.66 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.9 pt -124.21 152.66 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -102.85 158.18 16.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 14.1 t80 -38.44 -38.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.41 -48.89 71.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' ASN . 96.0 mt-10 -72.71 -17.04 61.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.443 ' HE1' HD23 ' A' ' 45' ' ' LEU . 32.6 t80 -80.76 -37.7 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -73.35 -26.91 61.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -62.47 -48.38 79.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.585 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -60.09 -44.35 94.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.725 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 60.9 mt -55.39 -34.2 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.575 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.2 mt-10 -69.63 -41.94 74.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -73.48 -27.68 61.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.662 ' CD1' HG23 ' A' ' 62' ' ' VAL . 57.8 mt -97.62 -4.59 37.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -72.67 -55.91 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.3 p -73.73 -20.96 60.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.845 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 18.6 mtpt -86.32 -25.05 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 10.1 tpt180 -83.18 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.911 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.0 m-85 -76.56 178.67 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' HE2' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -60.99 -137.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.72 27.87 17.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' HG3' ' HE2' ' A' ' 95' ' ' LYS . 10.5 mttm -51.23 179.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.1 m -80.06 155.34 27.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -50.7 -43.14 57.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.25 -50.78 15.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.34 -52.0 64.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.95 -46.18 82.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 82.9 t80 -63.05 -40.87 98.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -23.66 62.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.911 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -78.37 -40.42 36.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.609 ' HA ' HD12 ' A' ' 109' ' ' LEU . 8.9 tt -74.85 -28.39 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.652 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.3 m -69.57 -29.21 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.81 -11.8 59.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 106' ' ' ILE . 72.7 mt -85.32 -19.24 31.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.6 mt -112.24 -49.06 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.538 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -47.57 96.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 122.07 -36.52 3.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.48 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -58.48 168.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.59 144.67 10.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.64 170.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -65.84 -60.77 2.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.2 mm -81.06 78.68 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.94 60.77 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 120' ' ' VAL . 33.1 m -98.86 111.89 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.5 t -101.71 155.04 18.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.382 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -90.49 153.25 20.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.34 176.83 7.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -168.12 133.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.9 m 63.55 146.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -88.33 -115.27 1.25 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.23 -157.91 28.9 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -117.64 171.32 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 129' ' ' VAL . 9.5 p -100.09 110.38 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -144.82 142.26 29.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 1.3 mtt180 -174.18 169.4 3.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.251 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.903 HD13 ' O ' ' A' ' 132' ' ' LEU . 0.0 OUTLIER 170.87 109.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.662 ' N ' HD22 ' A' ' 132' ' ' LEU . 7.0 t -146.97 157.64 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -178.54 103.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.0 m -142.02 101.76 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 93.9 p -97.51 87.32 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -45.86 168.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -110.96 169.49 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.0 t -115.77 147.52 40.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -72.21 157.06 52.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.7 t -152.9 158.05 41.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.961 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -83.4 152.87 24.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.585 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.45 168.24 11.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -100.85 112.54 24.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -97.81 166.98 11.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 53.3 p -174.77 133.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.033 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -158.11 153.68 24.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -56.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.777 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.2 m 68.53 110.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.6 m -108.1 171.93 7.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.74 153.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.25 136.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.17 127.82 5.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t 179.97 -58.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -46.79 150.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.41 -152.52 6.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mtt -89.02 149.61 23.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 0.791 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.59 153.74 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.2 176.21 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.7 p -101.66 65.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -94.47 -54.8 3.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -110.09 172.51 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.652 HG22 ' H ' ' A' ' 15' ' ' ALA . 1.1 mm -103.58 -157.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.652 ' H ' HG22 ' A' ' 14' ' ' ILE . . . -179.03 77.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.39 -15.0 2.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.9 tp -49.61 -74.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.08 -36.31 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -59.98 -45.8 91.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.696 ' HB2' HG22 ' A' ' 110' ' ' ILE . 16.0 m -65.6 -50.26 65.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' ALA . 24.2 t80 -50.15 -52.62 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -49.46 -44.89 46.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.318 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -56.34 -55.18 36.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.866 ' CD1' HD13 ' A' ' 45' ' ' LEU . 40.1 m-85 -66.36 -27.27 67.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -74.06 -47.53 36.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.48 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . 2.4 pt -89.7 9.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -42.17 114.0 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.11 -62.06 3.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 2.5 m-20 -48.36 108.92 1.01 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -27.37 10.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -77.78 -39.52 43.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 26' ' ' ILE . . . -40.15 130.66 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.5 m -94.78 -18.11 21.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.42 23.61 12.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -100.57 -9.66 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.8 mt-10 -138.6 147.55 43.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 24' ' ' PHE . 6.9 ttm -135.66 124.02 23.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 2.8 p30 -79.33 143.47 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.615 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -52.66 -19.51 6.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -73.64 -36.58 65.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 1.3 m120 -87.54 -38.28 16.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.93 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.6 t-105 -56.67 -61.05 2.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.59 -51.82 52.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -55.8 -40.27 72.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.866 HD13 ' CD1' ' A' ' 24' ' ' PHE . 12.3 tp -65.75 -27.65 68.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 52' ' ' ALA . 56.2 m -88.43 11.25 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.647 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -125.0 -44.04 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -29.49 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 66.7 m -90.98 16.08 10.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.19 43.65 22.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -88.09 -40.35 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.647 ' HB3' ' CE ' ' A' ' 47' ' ' LYS . . . -107.17 91.27 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.43 -36.58 84.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.576 ' O ' HG22 ' A' ' 58' ' ' THR . . . 117.75 -34.58 4.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -80.77 -79.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 0.722 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.17 -40.28 67.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.843 HG13 ' CG ' ' A' ' 61' ' ' ASP . 7.2 t -127.24 141.79 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 54' ' ' GLY . 22.4 p -120.21 143.52 48.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.673 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.41 -23.83 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 58' ' ' THR . 19.5 m -73.49 -24.72 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.999 ' OD2' HD22 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -74.4 -39.51 62.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.93 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.9 p -73.19 -32.39 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -47.77 65.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.2 mt -61.73 -52.3 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.578 HG22 ' HE3' ' A' ' 68' ' ' LYS . 6.6 t -55.61 -46.0 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.615 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 35.7 t80 -60.41 -28.7 68.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.431 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -95.85 -2.25 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -99.68 -29.0 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 65' ' ' VAL . 16.5 m -83.05 -45.4 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.0 pttt -72.1 -167.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -128.08 155.4 44.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -21.41 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 t -88.12 -61.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 147.53 39.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -114.59 -26.74 7.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 m -104.39 162.59 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.6 pt -115.76 156.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -112.02 156.68 21.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -37.9 -47.27 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -55.04 -48.91 72.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' ASN . 44.7 mm-40 -73.33 -43.55 60.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.649 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 20.1 t80 -54.02 -49.17 69.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -64.23 -26.97 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -45.84 79.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.498 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -60.48 -46.95 88.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 79.2 mt -54.2 -39.15 66.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 9.1 mm-40 -63.64 -36.8 85.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -74.04 -29.72 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.999 HD22 ' OD2' ' A' ' 61' ' ' ASP . 15.8 mt -94.9 -5.98 43.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -61.99 -54.55 40.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 95' ' ' LYS . 11.6 p -76.24 -46.17 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -56.19 -20.53 18.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 31.3 tpt85 -98.82 -53.33 3.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.916 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 79.0 m-85 -94.01 96.02 9.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.587 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 24.95 -118.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -132.12 34.32 2.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.435 1.084 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 96' ' ' GLY . 23.8 mttt -53.56 -172.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.6 p -83.78 163.92 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 10.5 tttt -57.42 -41.62 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.64 -52.25 10.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.17 -51.71 65.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.446 ' HB1' ' C ' ' A' ' 90' ' ' ALA . . . -58.39 -57.01 14.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.595 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 71.4 t80 -55.31 -40.76 71.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.73 -27.83 69.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.916 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -80.31 -57.22 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.564 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.0 tt -55.16 -37.8 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 37.0 m -65.38 -39.92 92.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -62.75 -25.58 68.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 106' ' ' ILE . 64.4 mt -72.16 -34.45 68.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.696 HG22 ' HB2' ' A' ' 20' ' ' SER . 9.0 mt -88.87 -65.72 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.73 117.34 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.59 -42.22 1.96 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.4 mttm -71.28 150.13 45.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -125.12 158.52 63.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.577 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.0 1.53 7.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.69 -171.74 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 166.53 126.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.772 ' O ' HD12 ' A' ' 118' ' ' ILE . 2.1 pp -82.87 87.05 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -166.11 -84.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.514 ' O ' HG12 ' A' ' 120' ' ' VAL . 42.3 t -130.95 43.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 t -89.02 18.39 4.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 mttt 67.15 101.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.89 80.91 5.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.14 -69.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.5 t -91.93 139.98 30.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 159.28 105.57 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 126.75 111.34 1.72 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -178.71 133.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.351 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.27 123.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.43 94.04 2.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.423 ' O ' ' HB3' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -178.2 -69.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.423 ' HB3' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER 70.67 -65.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 133' ' ' THR . 4.0 m 41.2 65.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.47 143.59 28.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 97.3 m -135.37 67.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.1 m -52.02 106.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 176.99 9.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -82.1 -51.36 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.3 m 52.16 93.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -119.11 158.47 14.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.87 164.21 18.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.31 126.97 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.88 153.84 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.26 145.94 29.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.77 163.67 12.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 39.5 p -103.69 169.24 8.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.036 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -131.01 173.06 20.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.24 16.74 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.451 1.764 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 69.0 p -114.76 158.68 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.64 168.35 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.91 -58.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.09 137.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.11 -133.31 1.34 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p 48.05 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.91 170.26 16.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.6 139.58 2.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.1 mtt -139.39 157.19 46.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . -131.21 95.96 3.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -179.76 175.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' THR . 7.9 t 64.95 87.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' SER . 8.5 t -38.6 -37.59 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.82 151.71 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.509 HG21 ' HB2' ' A' ' 17' ' ' LEU . 46.5 mm -58.66 -70.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 65.0 75.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.36 -23.94 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.509 ' HB2' HG21 ' A' ' 14' ' ' ILE . 56.9 tp -58.32 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 15.6 tt0 -47.34 -30.31 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 110.296 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -68.35 -46.56 69.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -68.98 -43.7 74.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' ALA . 24.3 t80 -50.06 -54.33 21.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -52.71 -44.3 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 28.0 mttt -52.09 -56.2 15.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.653 ' CD1' HD13 ' A' ' 45' ' ' LEU . 41.4 m-85 -70.47 -27.23 64.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -68.34 -47.45 67.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 pt -89.64 16.35 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.21 107.42 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.617 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.02 61.12 5.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.159 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -170.96 108.11 0.41 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.03 15.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -84.84 -46.38 11.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.01 132.98 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.65 -20.14 17.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 103.61 28.81 5.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -102.91 -10.43 19.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.26 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 3.5 mt-10 -136.73 148.54 47.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.519 ' HE1' ' HB3' ' A' ' 24' ' ' PHE . 23.9 ttm -136.69 121.33 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.51 143.93 46.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.582 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -48.99 -35.62 18.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -62.9 -34.41 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.356 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.49 -35.99 22.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.87 ' NE1' HG22 ' A' ' 62' ' ' VAL . 7.5 t-105 -62.64 -60.22 3.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 108.025 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.74 70.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -55.19 -52.87 61.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' A' ' 24' ' ' PHE . 7.1 tp -47.75 -42.4 25.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.461 ' O ' HG23 ' A' ' 51' ' ' VAL . 53.5 m -62.5 -60.35 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 108.265 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 50' ' ' LYS . 39.1 tttt -46.06 -59.8 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -33.46 60.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.519 ' SG ' HD12 ' A' ' 45' ' ' LEU . 41.0 m -90.19 16.01 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.283 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 mptp? 41.07 41.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.478 HG23 ' HB2' ' A' ' 49' ' ' CYS . 3.5 t -88.89 -39.37 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.82 87.94 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' OD2' ' NE ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -73.88 -27.54 61.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 1.002 ' O ' HG22 ' A' ' 58' ' ' THR . . . 111.64 -36.01 4.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.533 1.145 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -76.64 -78.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -62.08 -35.36 78.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' GLY . 11.3 t -131.38 119.37 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 1.002 HG22 ' O ' ' A' ' 54' ' ' GLY . 52.3 p -103.27 140.95 36.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.434 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.91 -22.16 1.92 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -77.62 -32.61 53.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.794 . . . . 0.0 110.389 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -73.27 -46.98 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.87 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -60.76 -37.26 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -64.78 -48.19 75.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.8 mt -61.51 -50.85 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.2 t -54.85 -49.22 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 13.6 t80 -55.87 -30.9 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.482 ' HA ' ' CE ' ' A' ' 70' ' ' LYS . 3.0 t -89.18 -10.22 47.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -95.89 -21.78 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 65' ' ' VAL . 10.5 m -88.34 -33.44 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' HB3' HG22 ' A' ' 77' ' ' ILE . 9.7 pttt -82.05 -176.65 6.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.64 -154.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -76.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.97 -72.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 47.43 -137.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 168.24 -29.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.69 164.35 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.533 HG22 ' HB3' ' A' ' 70' ' ' LYS . 2.2 pt -127.4 155.85 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.4 159.24 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.4 t80 -44.42 -48.26 9.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -54.44 -48.74 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.14 -37.92 72.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.411 ' HB2' HD12 ' A' ' 77' ' ' ILE . 16.8 t80 -56.45 -51.08 69.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -64.56 -26.37 68.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -41.43 97.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.514 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -67.75 -42.8 81.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ALA . 32.7 mt -55.1 -45.25 75.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.574 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 2.4 mm-40 -57.49 -41.34 80.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 58.4 mm-40 -70.61 -32.54 69.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.788 HD11 HG23 ' A' ' 62' ' ' VAL . 62.8 mt -91.38 -0.09 57.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -77.06 -52.39 9.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 p -76.97 -23.74 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.64 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 8.7 mtpp -82.25 -28.91 31.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 5.8 tpt180 -83.43 -65.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.947 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.0 m-85 -75.97 176.88 7.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.12 -148.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -86.06 20.93 18.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 96' ' ' GLY . 20.4 mttt -46.41 172.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -78.89 155.52 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -48.54 -46.9 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.54 -50.31 46.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 8.2 mm-40 -55.79 -51.57 66.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -52.31 66.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 67.9 t80 -55.66 -42.59 75.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -22.63 62.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.947 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -81.48 -40.45 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.877 ' HA ' HD12 ' A' ' 109' ' ' LEU . 8.3 tt -76.31 -30.53 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.446 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.1 m -69.48 -34.23 74.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.13 . . . . 0.0 108.337 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.77 -19.77 65.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 106' ' ' ILE . 13.1 mt -77.92 -40.13 40.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' ALA . 4.9 mt -88.89 -66.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.429 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -39.32 109.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.99 -40.87 2.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.6 OUTLIER -69.89 169.72 12.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 1.4 pm0 -151.56 149.65 24.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.47 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 18.3 Cg_endo -75.01 1.22 7.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 117' ' ' ASN . . . 176.94 159.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 116' ' ' ALA . 7.4 t-20 81.38 54.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.451 ' N ' HD12 ' A' ' 118' ' ' ILE . 5.2 mp -100.08 98.02 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.06 -82.15 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.5 p -139.44 144.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.3 t -133.82 115.75 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 110.433 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -96.03 152.1 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -166.48 123.12 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.25 62.38 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 125' ' ' THR . 14.8 t -157.94 105.5 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -152.96 -154.88 6.88 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 139.8 174.16 13.58 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.14 125.34 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.6 p -131.81 132.99 61.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -105.18 168.49 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 170.41 175.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.2 tp 175.0 -60.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 2.4 m 55.24 105.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.79 167.34 9.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.3 m 59.55 107.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 95.6 p -163.98 105.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -43.21 149.78 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -96.06 167.48 11.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.1 t -70.99 139.64 50.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 156.39 79.36 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.58 161.87 41.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.957 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -166.19 135.86 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.595 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.58 111.74 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -84.72 62.08 7.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -94.38 145.76 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 79.3 p -149.63 146.17 27.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -147.07 71.73 0.32 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 93.0 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.2 t -80.87 97.48 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.3 p -51.12 148.52 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.145 . . . . 0.0 111.012 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m 55.87 98.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.015 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -90.66 160.76 15.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.69 149.02 18.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' SER . 81.1 p -77.72 175.4 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.5 m 166.65 121.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.33 35.6 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 19.5 mtm -95.47 149.82 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 8' ' ' MET . . . 177.09 122.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.8 178.08 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.72 58.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.46 -70.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t70 176.22 177.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.7 mm -88.68 -76.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 67.87 68.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 166.78 -29.8 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.797 HD22 ' SG ' ' A' ' 107' ' ' CYS . 15.4 tp -52.48 -73.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.793 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 29.7 tt0 -47.6 -25.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -76.52 -36.94 57.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.729 ' HB3' HG22 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -77.17 -43.38 34.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -49.92 -53.59 25.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -45.72 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 25.1 mttt -54.23 -55.94 23.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 1.061 ' CD2' HD13 ' A' ' 45' ' ' LEU . 44.1 m-85 -66.4 -24.56 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.475 ' CA ' ' HE3' ' A' ' 37' ' ' MET . . . -75.86 -47.38 25.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' HIS . 4.0 pt -90.42 9.85 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ILE . 6.7 t-80 -39.16 102.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.573 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.81 -58.76 4.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -48.67 105.82 0.54 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.359 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.6 15.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' ALA . 10.0 tttt -85.57 -43.53 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -40.13 131.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.2 m -95.43 -6.82 39.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.13 33.97 8.49 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.122 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -107.77 -4.54 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.42 146.52 38.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.475 ' HE3' ' CA ' ' A' ' 25' ' ' ALA . 23.5 ttm -137.56 116.27 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -73.22 143.57 47.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.649 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.37 -28.78 6.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -42.12 67.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -79.9 -17.19 53.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.832 ' NE1' HG22 ' A' ' 62' ' ' VAL . 2.6 t-105 -80.62 -53.88 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.059 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.71 68.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -54.35 -37.83 65.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.061 HD13 ' CD2' ' A' ' 24' ' ' PHE . 10.5 tp -68.46 -26.59 65.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.512 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 57.2 m -94.61 24.08 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -132.38 -62.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.01 -40.05 75.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.534 ' SG ' ' CZ ' ' A' ' 24' ' ' PHE . 64.9 m -70.62 -6.81 39.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.358 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 69.94 43.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.489 HG13 HG13 ' A' ' 106' ' ' ILE . 2.1 t -91.68 -41.12 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -96.88 178.09 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -159.37 -44.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.853 ' O ' HG22 ' A' ' 58' ' ' THR . . . 123.21 -21.96 7.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -84.97 -77.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.97 72.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.1 t -121.45 118.36 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.853 HG22 ' O ' ' A' ' 54' ' ' GLY . 45.4 p -103.63 141.86 35.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.56 -22.04 1.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.4 m -79.2 -32.14 43.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.9 m-20 -72.54 -45.59 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.855 HG23 HD11 ' A' ' 89' ' ' LEU . 9.6 p -62.5 -43.88 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -44.2 74.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 60' ' ' THR . 23.6 mt -67.31 -45.69 85.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.517 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.8 t -56.28 -43.31 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.649 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 10.2 t80 -62.7 -33.78 75.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 t -90.01 -4.6 57.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.496 ' CE ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -94.17 -20.98 19.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -96.71 -24.65 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.88 -179.54 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -120.43 147.65 44.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -40.89 -29.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 71' ' ' ALA . 2.9 t -72.27 -69.25 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.0 148.81 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.14 -8.03 11.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.1 m -129.45 173.44 13.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.783 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.7 pt -127.52 155.28 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.07 160.16 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 21.3 t80 -48.21 -22.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.29 -48.15 24.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -81.75 -24.36 36.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.783 ' HB2' HD12 ' A' ' 77' ' ' ILE . 7.4 t80 -72.49 -26.8 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -77.42 -28.2 52.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -67.91 -47.08 69.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.564 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -54.7 -48.35 72.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.599 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 96.7 mt -54.71 -43.77 72.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.598 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 3.6 mt-10 -57.55 -35.05 69.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 63.6 mm-40 -74.5 -32.65 62.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.855 HD11 HG23 ' A' ' 62' ' ' VAL . 47.2 mt -92.02 -2.34 56.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.8 -57.18 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 95' ' ' LYS . 25.6 p -77.68 -19.37 55.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 88' ' ' GLU . 30.6 mtpt -83.79 -26.96 29.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 31.4 tpt85 -93.03 -64.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.953 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 87.1 m-85 -76.58 93.78 3.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 25.56 -121.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -130.24 32.99 3.0 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.45 ' HD2' ' CE ' ' A' ' 95' ' ' LYS . 21.0 mttt -51.14 -177.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 p -73.56 171.18 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 27.6 tttt -64.06 -45.82 87.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.69 -45.35 29.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.58 -51.53 66.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.88 63.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 31.0 t80 -56.68 -38.76 72.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 108' ' ' GLN . 0.1 OUTLIER -65.08 -21.92 66.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.953 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -86.34 -52.3 5.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.516 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . 5.1 tt -57.74 -40.8 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.797 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.8 m -57.75 -44.69 86.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 108.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 3.0 mm-40 -49.83 -49.97 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.516 ' CD2' ' HA ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -47.14 -45.07 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.729 HG22 ' HB3' ' A' ' 20' ' ' SER . 3.0 mt -85.69 -73.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 107' ' ' CYS . . . -37.12 121.0 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 100.59 -37.15 3.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -78.25 -173.86 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.798 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -156.26 158.12 31.41 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.2 Cg_endo -75.01 1.66 7.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.73 -170.18 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -100.73 80.71 2.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.748 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -92.26 -157.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 118' ' ' ILE . . . 175.17 67.16 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 120' ' ' VAL . 28.0 m -120.56 103.84 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.5 m -157.96 122.64 4.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -178.11 96.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -171.31 174.65 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 178.27 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 14.6 t -136.79 149.33 47.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.421 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.65 -136.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . 0.624 ' O ' HG12 ' A' ' 129' ' ' VAL . . . -165.49 -86.65 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.02 114.4 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 127' ' ' GLY . 10.3 p -172.13 108.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -176.15 143.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.63 167.43 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -178.16 142.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.9 t -151.45 146.28 25.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -89.06 94.17 9.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.17 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 18.7 m -136.89 84.16 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 m -117.91 103.63 10.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.16 145.87 42.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.514 ' C ' ' CD1' ' A' ' 138' ' ' TYR . 1.3 p90 -92.6 137.27 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.8 t -165.9 143.41 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.336 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 170.84 -120.12 0.84 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.5 t 60.97 119.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -126.68 167.89 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.649 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.81 141.91 40.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.29 137.15 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 20.1 ttm-85 -176.08 103.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.7 162.36 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -161.01 136.74 4.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.63 28.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.1 m -145.18 -60.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.2 m 61.7 138.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -85.49 128.05 34.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 0.0 110.024 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t 179.64 98.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.6 117.48 1.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.11 170.32 11.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.24 120.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.78 -96.43 1.41 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.162 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.1 mtp -154.01 82.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 43.72 82.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -179.83 137.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.1 t -174.91 68.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.51 HG23 ' N ' ' A' ' 13' ' ' ASP . 5.3 t -167.38 -54.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.51 ' N ' HG23 ' A' ' 12' ' ' THR . 3.0 m-20 -102.12 -179.26 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.574 HG22 ' H ' ' A' ' 15' ' ' ALA . 1.4 mm -104.71 -149.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.574 ' H ' HG22 ' A' ' 14' ' ' ILE . . . 173.64 74.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.88 -15.53 1.96 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.127 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 111' ' ' ALA . 60.3 tp -51.99 -70.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -49.74 -26.19 3.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -75.27 -29.92 60.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 52.9 m -83.19 -47.52 11.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ALA . 6.7 t80 -51.89 -51.17 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 2.3 ttm180 -48.78 -48.36 41.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 45.4 mttt -49.42 -42.83 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.795 ' CD1' HD13 ' A' ' 45' ' ' LEU . 45.8 m-85 -82.25 -27.22 32.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -68.69 -47.74 65.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 12.4 pt -93.7 14.63 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 10.9 t-80 -38.62 101.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.618 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.23 -55.0 3.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 3.3 t70 -41.25 105.25 0.38 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -21.31 16.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -82.48 -45.09 15.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 29' ' ' ASP . . . -41.18 133.34 2.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 t -110.88 10.97 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.09 37.4 21.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -115.46 -8.62 12.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.773 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 1.9 mp0 -146.55 153.03 39.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' ILE . 27.8 ttm -138.83 119.73 14.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.484 ' HA ' HG12 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -74.86 143.99 43.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.593 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.54 -37.96 13.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -65.47 -33.33 75.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' ASN . 37.6 m-20 -88.58 -9.16 53.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.818 ' NE1' HG22 ' A' ' 62' ' ' VAL . 3.7 t-105 -95.66 -57.05 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.02 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.84 82.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -60.97 -41.39 96.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.795 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.1 tp -60.01 -30.67 69.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.468 ' O ' HG23 ' A' ' 51' ' ' VAL . 59.9 m -71.59 -59.19 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.75 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -53.83 -48.29 70.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.47 -38.24 77.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HB2' HG23 ' A' ' 51' ' ' VAL . 56.3 m -90.59 12.88 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 46.69 43.27 12.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 46' ' ' CYS . 5.3 t -86.63 -41.26 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.75 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -101.73 78.86 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.98 -30.14 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.815 ' O ' HG22 ' A' ' 58' ' ' THR . . . 115.54 -34.84 4.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -88.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.767 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -55.04 -36.87 66.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.507 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 10.2 t -123.91 131.13 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.815 HG22 ' O ' ' A' ' 54' ' ' GLY . 40.7 p -116.05 140.87 48.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.389 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.497 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.68 -22.78 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -75.91 -31.6 59.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.1 m-20 -71.77 -47.79 51.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.818 HG22 ' NE1' ' A' ' 42' ' ' TRP . 3.9 p -61.57 -38.41 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -42.04 97.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.33 -50.36 46.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.502 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 6.0 t -52.84 -48.07 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.593 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 18.5 t80 -59.7 -31.59 69.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.44 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -95.65 3.55 53.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.04 -34.32 7.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.97 -20.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.44 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 8.3 pttt -101.87 -163.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.87 166.4 17.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -14.91 38.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.06 -76.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.42 145.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 ptt-85 -113.06 -10.53 13.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 38' ' ' ASN . 2.5 m -123.25 168.5 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.548 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.8 pt -120.4 148.58 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' GLU . 1.8 m120 -104.72 159.95 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.8 t80 -47.08 -25.07 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -75.13 -36.63 61.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' ASN . 48.7 mt-10 -90.65 -28.87 18.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.548 ' HB2' HD12 ' A' ' 77' ' ' ILE . 5.6 t80 -69.02 -26.42 64.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -77.37 -28.4 52.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -67.86 -43.63 79.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.502 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -58.3 -48.01 81.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 90.2 mt -55.46 -38.02 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 8.9 mt-10 -63.69 -39.86 95.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.427 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 29.8 mm-40 -71.93 -32.11 67.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.626 HD11 HG23 ' A' ' 62' ' ' VAL . 21.3 mt -91.21 -6.11 53.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -64.29 -54.97 24.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 95' ' ' LYS . 58.4 p -78.17 -36.38 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.624 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 26.8 mtpt -68.2 -10.24 52.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 43.3 tpt85 -105.88 -57.99 1.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.598 ' O ' ' C ' ' A' ' 95' ' ' LYS . 86.3 m-85 -90.39 95.47 10.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 23.13 -120.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -123.54 35.44 3.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 96' ' ' GLY . 11.8 mttp -54.69 -168.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.3 m -85.61 167.11 15.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' NZ ' ' OE2' ' A' ' 87' ' ' GLU . 5.1 tttm -65.29 -42.78 92.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.21 -51.26 12.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -55.29 -52.41 63.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -57.37 -55.63 32.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 67.5 t80 -54.4 -39.04 66.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -31.39 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -76.66 -36.14 57.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.603 ' HA ' HD12 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -80.55 -37.19 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 21.3 m -61.53 -26.25 67.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 108.298 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -76.96 -25.55 52.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 106' ' ' ILE . 49.4 mt -67.0 -19.17 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.1 mt -108.54 -66.4 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . . . -39.15 106.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.2 -40.68 2.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.9 mttt -72.17 170.55 13.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.29 150.99 26.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.5 Cg_endo -74.96 1.51 7.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.33 171.73 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -63.39 -55.66 22.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.3 mt -87.02 87.01 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -156.09 84.67 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.6 p -168.04 136.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.539 ' O ' HG22 ' A' ' 121' ' ' THR . 30.3 m -151.46 47.17 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -161.66 153.09 18.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -176.48 105.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -150.99 171.04 17.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.2 p -142.68 164.84 29.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.384 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -126.14 -161.17 10.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -162.93 126.07 1.49 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -170.87 160.35 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.47 103.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -169.2 152.13 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.94 172.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.868 HD22 ' N ' ' A' ' 133' ' ' THR . 0.0 OUTLIER 175.33 126.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.868 ' N ' HD22 ' A' ' 132' ' ' LEU . 14.5 t -108.9 134.75 51.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.428 ' OD1' HD11 ' A' ' 132' ' ' LEU . 6.5 p-10 -170.89 120.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.619 HG23 ' N ' ' A' ' 136' ' ' SER . 10.3 t -123.71 -135.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.619 ' N ' HG23 ' A' ' 135' ' ' THR . 4.0 m -173.31 162.0 4.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -81.18 173.4 12.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 138' ' ' TYR . 6.9 p90 -122.91 171.97 8.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 11.3 t -163.52 141.48 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 168.76 151.82 7.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.15 166.18 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.953 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.68 174.24 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.636 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -139.74 -68.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 63.2 137.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -162.29 162.28 28.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.29 145.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -105.88 136.63 13.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.96 106.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.53 169.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.038 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -129.77 168.17 16.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 p -133.46 151.19 51.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.8 124.8 1.98 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -108.39 169.3 8.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 0.734 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.4 m -67.81 -52.13 40.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.31 131.07 6.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.42 170.93 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.9 129.23 35.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.08 -164.58 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.5 p -73.38 -147.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 13' ' ' ASP . 1.1 m -74.64 -74.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' N ' HG22 ' A' ' 12' ' ' THR . 0.7 OUTLIER -84.33 171.91 12.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.762 HG23 ' CB ' ' A' ' 111' ' ' ALA . 1.9 mp -39.33 -79.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' N ' HG22 ' A' ' 14' ' ' ILE . . . 65.23 83.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.43 -16.14 1.86 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.672 ' HB2' HG21 ' A' ' 14' ' ' ILE . 28.3 tp -54.63 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.743 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 3.2 tt0 -48.59 -29.39 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -69.15 -48.62 61.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.451 ' HB2' HG22 ' A' ' 110' ' ' ILE . 54.0 m -66.25 -36.88 84.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -56.96 -53.11 61.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -49.84 -42.26 46.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -49.63 -55.14 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.923 ' CD1' HD13 ' A' ' 45' ' ' LEU . 62.4 m-85 -71.85 -29.42 64.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -66.78 -47.62 71.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' HIS . 4.5 pt -92.15 13.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ILE . 15.1 t-80 -38.62 111.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.24 -58.1 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 2.6 m-20 -44.28 105.31 0.43 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -21.61 15.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -83.09 -41.8 18.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . . . -39.96 128.59 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m -91.64 -15.44 28.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 98.89 30.39 6.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -110.79 -1.36 16.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.433 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.7 mt-10 -144.63 152.01 39.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.507 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 30.5 ttm -143.47 129.97 20.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -81.72 143.58 31.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -47.12 -32.59 6.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -37.49 85.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.724 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ASN . 9.1 m-20 -81.96 -28.29 32.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.86 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.2 t-105 -72.06 -58.82 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 107.97 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.33 -48.93 75.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -58.52 -44.13 89.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.923 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.3 tp -57.09 -31.39 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 57.8 m -74.32 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.659 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -54.74 -43.1 72.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 -36.93 85.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' SG ' HD12 ' A' ' 45' ' ' LEU . 66.0 m -92.66 13.45 20.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.3 mmmm 45.99 46.13 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 3.6 t -89.42 -38.73 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.659 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -103.55 82.9 2.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -62.29 -30.88 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.868 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.19 -30.12 7.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.65 -82.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.806 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.53 -34.53 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.408 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 17.5 t -125.73 118.37 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.868 HG22 ' O ' ' A' ' 54' ' ' GLY . 82.1 p -104.3 140.94 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.447 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -47.61 -22.61 1.84 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.471 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -75.27 -30.48 60.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -75.89 -49.65 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.86 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -58.68 -36.15 58.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.38 -43.72 80.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.471 HD12 ' O ' ' A' ' 60' ' ' THR . 32.4 mt -66.76 -49.94 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.657 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.0 t -52.86 -50.92 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 27.5 t80 -57.52 -29.01 63.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.423 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -87.97 -14.13 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -93.04 -39.72 10.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 65' ' ' VAL . 7.9 m -69.27 -36.1 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.0 pttt -84.1 -171.66 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -110.96 -178.68 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.97 10.33 19.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.64 -49.52 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.96 147.93 45.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.67 -6.6 12.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -129.11 161.2 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.2 pt -115.94 153.75 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLU . 2.0 m-20 -108.91 158.83 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 16.4 t80 -39.35 -42.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -58.05 -49.03 78.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ASN . 43.4 mt-10 -74.0 -41.4 61.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 50.8 t80 -53.24 -49.38 66.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -27.29 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -39.47 92.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.537 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -71.4 -41.87 69.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 20.4 mt -56.97 -38.46 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.57 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 7.2 mt-10 -65.27 -46.06 82.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 7.6 mm-40 -65.03 -29.68 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.724 HD11 HG23 ' A' ' 62' ' ' VAL . 59.5 mt -95.98 -5.74 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -63.98 -56.13 17.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' LYS . 62.6 p -77.01 -38.78 52.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.806 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 16.1 mtpt -64.89 -11.76 41.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 23.4 tpt85 -105.43 -53.92 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.919 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 78.6 m-85 -94.42 95.77 9.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.613 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 22.46 -119.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -128.3 36.13 2.55 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.454 ' CE ' ' HE3' ' A' ' 95' ' ' LYS . 13.2 mttm -55.36 -168.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 m -85.35 158.68 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HD3' ' CG ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -55.75 -42.65 75.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.45 ' CG ' ' HD3' ' A' ' 99' ' ' LYS . 6.2 mt-10 -75.0 -52.77 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.43 -51.03 68.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.25 -50.96 71.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 69.0 t80 -61.1 -39.7 90.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -21.78 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.919 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -86.26 -39.23 16.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 109' ' ' LEU . 5.5 tt -74.41 -33.93 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.561 ' SG ' HD22 ' A' ' 17' ' ' LEU . 99.2 m -67.16 -36.99 82.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.14 -21.93 64.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 106' ' ' ILE . 56.3 mt -73.04 -24.08 60.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 20' ' ' SER . 5.5 mt -102.0 -64.53 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.762 ' CB ' HG23 ' A' ' 14' ' ' ILE . . . -38.63 114.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.02 -39.51 2.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.417 1.073 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -75.48 167.04 22.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -150.71 156.84 36.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.0 1.47 7.71 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.17 -174.81 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.97 -60.05 1.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.9 mp 59.67 111.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 61.01 135.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.9 131.33 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 29.1 p -139.6 177.98 7.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 97.67 8.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.21 55.81 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt 65.02 87.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 67.8 p -145.25 165.1 29.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.372 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.95 127.13 2.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 121.39 74.11 0.34 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -167.39 142.48 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.6 p -160.15 125.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.5 p30 173.86 147.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.243 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 132' ' ' LEU . 13.9 ttt180 -163.66 -70.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER 74.78 147.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 60.5 p -124.4 59.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.443 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -167.45 101.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.1 t -96.6 -44.11 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.4 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.25 -162.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.759 ' O ' HG22 ' A' ' 139' ' ' THR . 19.7 tttm -142.52 138.23 30.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -48.1 100.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.759 HG22 ' O ' ' A' ' 137' ' ' LYS . 9.2 t -171.46 141.46 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 134.06 166.27 11.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.71 152.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -102.32 159.67 15.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 121.65 17.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.39 136.34 5.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -175.7 166.4 3.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 58.7 p -122.35 -59.79 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.76 171.89 19.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.23 10.19 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.35 -58.49 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.51 161.47 36.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -174.31 121.25 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.063 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -157.95 158.39 34.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.73 101.51 0.79 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -173.15 174.33 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.999 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.02 163.06 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.11 120.84 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttp -105.26 -18.55 14.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.71 176.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.71 175.68 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.65 137.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 13' ' ' ASP . 1.4 m -47.02 -80.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.431 ' N ' HG22 ' A' ' 12' ' ' THR . 3.0 p-10 -81.9 176.74 9.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.598 HG21 ' HB2' ' A' ' 17' ' ' LEU . 46.0 mm -40.71 -78.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.36 73.76 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' C ' ' HA ' ' A' ' 111' ' ' ALA . . . 158.69 -27.66 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.598 ' HB2' HG21 ' A' ' 14' ' ' ILE . 34.6 tp -58.01 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 3.5 tt0 -47.66 -25.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -74.77 -35.48 62.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.593 ' HB2' HG22 ' A' ' 110' ' ' ILE . 49.8 m -80.11 -44.18 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -50.46 -55.79 14.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.464 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -49.88 -47.76 51.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' CD ' ' HG2' ' A' ' 114' ' ' GLU . 34.4 mttm -49.87 -52.51 32.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.747 ' CD1' HD13 ' A' ' 45' ' ' LEU . 35.4 m-85 -73.12 -22.51 60.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -75.02 -47.64 28.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.433 HG22 ' HB1' ' A' ' 32' ' ' ALA . 7.0 pt -88.06 9.04 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -52.46 110.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.63 55.86 6.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.69 103.63 0.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -21.28 15.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -75.19 -41.01 58.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB1' HG22 ' A' ' 26' ' ' ILE . . . -45.76 141.16 3.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.0 p -106.68 -8.36 16.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 91.51 31.11 9.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -106.05 -13.32 15.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 110.292 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.12 148.93 51.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.8 ttm -139.63 118.69 12.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.509 ' HA ' HG12 ' A' ' 76' ' ' VAL . 10.4 m-20 -73.79 143.8 45.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.543 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . -49.56 -37.32 26.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -38.94 88.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -79.5 -34.29 41.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.869 ' NE1' HG22 ' A' ' 62' ' ' VAL . 2.9 t-105 -65.83 -52.53 49.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 46' ' ' CYS . . . -61.59 -58.01 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -50.08 -25.21 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.747 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.8 tp -78.93 -30.52 44.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -74.62 -11.41 60.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.277 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.55 -50.02 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.461 ' OD2' ' HA ' ' A' ' 115' ' ' PRO . 13.7 t0 -57.71 -34.67 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.408 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 37.1 m -94.55 11.2 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 45.62 43.09 8.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.3 t -82.52 -41.03 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.495 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . . . -92.42 81.88 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -52.32 -37.32 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.577 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.58 -30.71 7.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -81.12 -76.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.851 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.82 -42.9 97.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -115.63 124.1 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 54' ' ' GLY . 18.8 p -109.98 141.77 42.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -48.65 -21.41 2.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.515 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.2 m -78.89 -27.78 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.2 m-20 -77.28 -46.92 21.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.869 HG22 ' NE1' ' A' ' 42' ' ' TRP . 5.1 p -58.36 -36.54 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -47.95 75.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 60' ' ' THR . 17.3 mt -63.58 -48.06 88.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -56.73 -46.02 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CE1' ' HA2' ' A' ' 39' ' ' GLY . 48.9 t80 -59.8 -32.45 70.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.23 -7.2 54.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -93.03 -21.57 19.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.082 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 65' ' ' VAL . 15.4 m -90.64 -32.29 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 66' ' ' PHE . 4.2 pttt -95.59 -165.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.47 172.27 9.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -67.76 -10.8 55.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t -93.73 -68.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.57 155.05 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -127.95 3.67 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 38' ' ' ASN . 3.7 m -140.83 164.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 82' ' ' PHE . 25.5 pt -125.0 151.19 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -103.45 160.27 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 21.2 t80 -40.4 -29.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 78' ' ' ASN . 2.4 mt-10 -72.29 -48.82 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' ASN . 98.7 mt-10 -78.18 -14.77 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.253 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.756 ' CE2' HD11 ' A' ' 86' ' ' LEU . 32.8 t80 -82.69 -33.04 27.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -71.74 -29.38 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -62.14 -59.31 5.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -47.8 -48.73 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.756 HD11 ' CE2' ' A' ' 82' ' ' PHE . 96.1 mt -53.61 -40.94 66.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.1 mm-40 -63.15 -36.61 84.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -76.16 -25.08 54.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.684 HD11 HG23 ' A' ' 62' ' ' VAL . 69.3 mt -98.9 -3.35 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -68.59 -57.56 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 95' ' ' LYS . 29.8 p -77.39 -35.33 54.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.851 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 15.3 mtpt -67.69 -10.73 55.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 28.6 tpt85 -106.87 -58.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.572 ' O ' ' C ' ' A' ' 95' ' ' LYS . 82.2 m-85 -87.62 96.2 10.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.572 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 25.98 -121.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -127.4 35.21 2.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 96' ' ' GLY . 2.4 mttp -54.49 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -82.9 174.36 10.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.04 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -68.98 -48.72 62.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.59 -47.91 29.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.57 -52.08 64.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -59.77 -54.51 45.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.602 ' CE2' ' SG ' ' A' ' 107' ' ' CYS . 73.9 t80 -54.94 -41.67 71.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -25.66 67.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.28 -35.08 28.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -80.14 -32.94 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.602 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 11.0 m -65.0 -23.36 67.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -78.35 -26.45 46.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 106' ' ' ILE . 64.2 mt -68.68 -34.14 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.593 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.5 mt -95.08 -58.37 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -44.75 105.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.2 -42.41 1.94 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.68 147.35 50.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' HG2' ' CD ' ' A' ' 23' ' ' LYS . 39.0 mt-10 -129.62 153.33 80.72 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.486 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.06 1.44 7.76 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -174.46 100.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' GLY . 0.7 OUTLIER 172.34 46.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.07 87.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.731 ' O ' HG12 ' A' ' 120' ' ' VAL . . . 152.31 -80.28 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 119' ' ' GLY . 0.3 OUTLIER 87.8 163.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.352 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.5 t -51.55 167.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.3 mttt -102.71 167.97 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 122' ' ' LYS . . . 66.82 145.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -109.12 -65.29 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 14.6 t -152.44 160.03 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.81 -107.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -138.42 -66.72 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 64.39 129.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.84 132.29 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -138.72 165.98 25.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 74.87 155.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.46 119.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 23.8 p -143.15 164.79 29.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 172.48 132.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' THR . . . . . 0.432 ' O ' ' OG ' ' A' ' 136' ' ' SER . 1.2 m -145.49 -56.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 135' ' ' THR . 91.5 p 57.0 160.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -160.57 131.97 5.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -157.83 100.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 6.5 m -147.34 150.21 34.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 102.63 109.64 3.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.95 94.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.28 104.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.04 172.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 62.64 114.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -122.75 96.32 4.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 t -170.23 170.09 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 118.6 123.74 3.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 162.31 37.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.97 -62.02 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.0 t -124.2 159.61 29.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 p -153.98 150.59 28.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.972 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -133.33 164.8 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.93 174.86 46.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t 62.1 89.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 p 176.88 125.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.84 -123.04 2.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ptp -153.0 172.67 16.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.26 156.44 31.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.72 163.46 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.21 81.96 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 t -175.28 -45.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -158.78 165.71 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.544 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 34.9 mm -46.56 -75.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 73.72 74.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.42 -22.53 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.92 HD22 ' SG ' ' A' ' 107' ' ' CYS . 58.0 tp -52.03 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 19.8 tt0 -46.96 -34.17 5.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.51 -50.87 70.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.609 ' OG ' HG22 ' A' ' 110' ' ' ILE . 2.7 p -63.68 -48.48 77.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' ALA . 18.4 t80 -49.78 -54.16 20.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -49.09 -47.01 45.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -52.95 -54.62 32.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.928 ' CD1' HD13 ' A' ' 45' ' ' LEU . 42.7 m-85 -68.76 -22.9 64.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -76.74 -47.68 21.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 34' ' ' GLY . 7.0 pt -91.0 26.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -100.57 88.94 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.592 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.92 -42.96 1.06 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.79 131.04 23.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -34.31 3.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -67.45 -28.79 68.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.33 136.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -114.27 9.73 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' H ' HG22 ' A' ' 26' ' ' ILE . . . 74.21 32.84 57.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -114.52 -14.49 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -133.59 145.22 49.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.43 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 30.4 ttm -135.64 118.7 16.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.98 144.13 47.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.697 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -56.55 -16.13 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -76.66 -41.64 44.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -82.59 -33.13 28.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.806 ' NE1' HG22 ' A' ' 62' ' ' VAL . 3.8 t-105 -58.96 -58.36 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.8 -52.11 61.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -54.93 -35.82 64.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.928 HD13 ' CD1' ' A' ' 24' ' ' PHE . 12.0 tp -69.53 -27.76 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.509 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 84.4 m -92.17 11.24 26.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.606 ' HE3' ' HB3' ' A' ' 52' ' ' ALA . 8.1 mptt -118.58 -55.67 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -40.67 94.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.611 ' SG ' HD12 ' A' ' 45' ' ' LEU . 99.8 m -74.8 -4.24 36.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 49.5 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.581 HG13 HG13 ' A' ' 106' ' ' ILE . 2.1 t -94.95 -36.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HE3' ' A' ' 47' ' ' LYS . . . -100.26 86.85 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 93' ' ' ARG . 20.9 p-10 -56.54 -38.39 71.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.615 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.28 -27.86 9.15 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -80.24 -75.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -68.26 -41.74 80.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 t -112.47 118.19 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 54' ' ' GLY . 16.0 p -109.31 142.12 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.23 -22.75 1.0 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.484 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.2 m -74.26 -31.68 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -75.24 -50.88 14.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.853 HG23 HD11 ' A' ' 89' ' ' LEU . 4.2 p -57.7 -36.65 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -44.62 91.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.484 HD12 ' O ' ' A' ' 60' ' ' THR . 22.7 mt -68.85 -46.0 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.758 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.3 t -55.67 -50.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.697 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 7.2 t80 -59.48 -31.27 69.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -86.92 -15.85 37.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -88.1 -40.94 13.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 65' ' ' VAL . 6.1 m -67.43 -39.94 83.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HB3' HG22 ' A' ' 77' ' ' ILE . 4.0 pttt -80.54 -173.32 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -111.83 166.41 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -13.74 53.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.85 -69.07 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.45 149.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.03 -24.55 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.8 m -112.16 -178.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.765 HD12 ' HB2' ' A' ' 82' ' ' PHE . 2.3 pt -132.44 148.37 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.34 160.34 14.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.3 t80 -50.67 -25.34 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.53 -28.76 56.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -97.41 -25.34 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.765 ' HB2' HD12 ' A' ' 77' ' ' ILE . 2.3 t80 -73.62 -38.97 64.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 9.0 ptpt -63.09 -32.72 74.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -61.0 -56.9 15.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.569 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -41.83 -44.61 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.567 ' HB3' HG21 ' A' ' 106' ' ' ILE . 92.6 mt -52.73 -54.63 31.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -35.64 51.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -74.54 -30.51 61.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.853 HD11 HG23 ' A' ' 62' ' ' VAL . 52.3 mt -98.97 4.42 47.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.558 ' HB1' ' HB1' ' A' ' 102' ' ' ALA . . . -82.16 -57.71 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.1 p -77.42 -20.42 54.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.853 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 20.8 mtpt -83.25 -19.9 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 17.6 tpt85 -102.02 -65.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.948 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 80.5 m-85 -76.46 92.79 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.601 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 23.8 -121.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -127.87 31.51 3.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.43 ' HG3' ' CE ' ' A' ' 95' ' ' LYS . 16.1 mttt -49.32 178.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 101' ' ' GLU . 58.0 p -72.02 158.54 35.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 7.2 tttt -53.43 -41.15 65.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.55 -48.63 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 31.6 mt-10 -55.2 -52.02 64.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.558 ' HB1' ' HB1' ' A' ' 90' ' ' ALA . . . -55.02 -54.34 44.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.462 ' CE2' ' O ' ' A' ' 83' ' ' LYS . 3.1 t80 -61.09 -36.44 79.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.53 -24.78 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.948 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -82.82 -50.5 8.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.581 HG13 HG13 ' A' ' 51' ' ' VAL . 3.7 tt -58.77 -29.63 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . 0.92 ' SG ' HD22 ' A' ' 17' ' ' LEU . 6.4 m -66.81 -29.02 68.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 105' ' ' ALA . 4.0 mt-30 -67.32 -39.68 85.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -59.97 -45.26 93.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.827 HG23 HD11 ' A' ' 45' ' ' LEU . 3.4 mt -90.09 -78.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.776 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -35.97 120.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.38 -34.36 5.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -81.7 175.08 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 0.714 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -153.67 150.75 23.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.576 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.2 Cg_endo -74.99 2.1 7.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.793 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.5 130.07 12.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 175.12 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.5 mp 47.06 75.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -173.81 -67.77 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 120' ' ' VAL . 15.7 m -117.42 84.82 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 31.5 p -86.88 162.45 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -173.24 152.45 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -46.75 163.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.0 177.53 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.8 m -114.86 149.65 36.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -117.31 -164.2 13.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -158.77 178.58 34.91 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -146.23 175.53 10.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.8 t 40.9 86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -102.11 138.15 39.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.49 161.22 21.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.46 84.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 3.6 m -128.82 92.65 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -139.79 100.85 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.7 m -153.22 96.74 2.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 62.7 p -91.8 -16.18 27.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.14 153.42 49.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.2 155.68 36.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 12.9 t -59.8 143.7 50.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -129.82 146.9 17.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.6 p -152.3 112.59 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.747 . . . . 0.0 109.978 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.2 137.52 41.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.86 90.06 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -103.6 130.02 50.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 100.47 9.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.36 139.42 19.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 148.86 83.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -48.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.8 p 59.07 113.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.4 p -158.99 167.3 29.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.61 -27.38 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.454 HD22 ' SG ' ' A' ' 107' ' ' CYS . 67.6 tp -55.85 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.544 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 7.5 tt0 -48.17 -28.15 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -68.08 -40.51 82.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.544 ' HB2' HG22 ' A' ' 110' ' ' ILE . 17.4 m -75.46 -44.97 41.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -50.03 -53.65 25.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -45.99 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 92.3 mttt -53.81 -56.21 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.983 ' CD1' HD13 ' A' ' 45' ' ' LEU . 38.5 m-85 -65.87 -31.55 72.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -65.36 -47.91 74.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.5 pt -92.0 14.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CD2' ' HE2' ' A' ' 44' ' ' LYS . 5.7 t-80 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.598 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -105.1 -26.65 12.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' OE1' HG23 ' A' ' 76' ' ' VAL . 6.7 mm-40 -125.33 157.83 35.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 ttm -138.88 122.06 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.499 ' HA ' HG12 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -73.08 143.41 47.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.673 ' CA ' ' CE1' ' A' ' 66' ' ' PHE . . . -55.45 -27.44 47.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -68.78 -37.5 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.48 -39.31 20.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.849 ' NE1' HG22 ' A' ' 62' ' ' VAL . 1.7 t-105 -54.34 -58.67 6.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.7 -49.02 66.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HE2' ' CD2' ' A' ' 27' ' ' HIS . 16.4 tttt -55.3 -47.77 75.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.983 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.6 tp -57.1 -29.28 63.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' ALA . 75.6 m -87.49 9.73 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.731 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.91 -55.29 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.45 -35.16 76.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 68.0 m -83.15 4.22 27.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.78 48.18 23.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.502 HG12 HD11 ' A' ' 106' ' ' ILE . 1.9 t -92.89 -33.91 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.731 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -102.03 80.22 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.21 -37.16 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.706 ' O ' HG22 ' A' ' 58' ' ' THR . . . 112.57 -30.57 7.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -78.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.846 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -67.89 -40.42 83.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 23.0 t -113.88 121.85 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 54' ' ' GLY . 18.5 p -112.47 141.49 46.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.42 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.515 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -43.63 -25.04 0.49 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 58' ' ' THR . 2.2 m -76.81 -39.76 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.37 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -64.26 -46.81 82.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.882 HG23 HD11 ' A' ' 89' ' ' LEU . 4.4 p -63.04 -36.97 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.32 -40.25 95.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mt -69.98 -51.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.675 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.5 t -53.0 -44.62 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.673 ' CE1' ' CA ' ' A' ' 39' ' ' GLY . 35.9 t80 -59.17 -35.29 73.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.428 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -90.08 -1.82 58.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -23.33 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 65' ' ' VAL . 8.8 m -88.79 -44.95 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.816 ' HB3' HG22 ' A' ' 77' ' ' ILE . 5.1 pttt -75.59 -164.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -123.19 153.29 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -20.96 4.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.9 t -85.51 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.47 151.95 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -113.7 -16.64 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 38' ' ' ASN . 0.8 OUTLIER -116.98 175.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.816 HG22 ' HB3' ' A' ' 70' ' ' LYS . 10.3 pt -126.76 156.67 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -109.55 158.79 17.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 10.6 t80 -40.84 -49.1 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -50.87 -48.49 60.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 35.3 mt-10 -72.43 -41.88 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.521 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 56.7 t80 -51.83 -50.95 59.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -62.0 -28.54 69.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -64.64 -45.42 86.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.51 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.45 -43.29 97.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 46.5 mt -56.56 -39.12 72.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.57 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 3.8 mm-40 -63.79 -38.65 91.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -73.63 -29.38 62.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.882 HD11 HG23 ' A' ' 62' ' ' VAL . 40.3 mt -97.9 1.97 48.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -79.05 -55.33 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.6 p -77.29 -20.93 54.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.846 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 13.0 mtpt -83.44 -30.24 27.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 20.4 tpt85 -80.56 -65.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.929 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 72.0 m-85 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -42.01 65.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.24 -51.05 11.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -55.46 -53.17 59.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.57 77.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.606 ' O ' HG22 ' A' ' 106' ' ' ILE . 69.7 t80 -60.65 -41.17 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -26.69 61.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.929 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -72.19 -42.26 66.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.631 ' HA ' HD12 ' A' ' 109' ' ' LEU . 9.9 tt -71.22 -28.05 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.454 ' SG ' HD22 ' A' ' 17' ' ' LEU . 94.7 m -72.55 -33.3 66.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 108.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.35 -12.45 56.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 106' ' ' ILE . 22.5 mt -88.22 -34.36 17.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.8 mt -92.42 -65.47 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.31 111.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.02 -42.46 1.94 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -71.25 149.13 46.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 23' ' ' LYS . 4.8 mt-10 -121.41 158.5 53.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 148.42 -18.38 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.647 HD22 ' SG ' ' A' ' 107' ' ' CYS . 43.4 tp -52.48 -72.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 0.727 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -47.94 -25.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -77.61 -35.63 52.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.574 ' HB2' HG22 ' A' ' 110' ' ' ILE . 30.0 m -78.51 -42.38 29.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE1' ' CG ' ' A' ' 82' ' ' PHE . 27.9 t80 -56.9 -51.01 70.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -45.11 42.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -49.82 -56.23 11.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.959 ' CD1' HD13 ' A' ' 45' ' ' LEU . 50.1 m-85 -65.72 -32.37 73.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -62.4 -47.51 83.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.46 HG23 ' HA2' ' A' ' 34' ' ' GLY . 14.8 pt -91.37 13.13 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -114.24 -13.53 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -128.4 153.86 46.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.558 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 36.0 ttm -138.57 134.41 33.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -83.79 143.22 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.598 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -49.72 -21.75 3.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -76.42 -40.78 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.734 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -80.85 -21.16 40.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.81 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.1 t-105 -75.4 -56.04 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.81 -49.05 76.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -57.05 -47.51 80.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.959 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.5 tp -57.17 -30.57 64.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.498 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 74.1 m -84.6 5.19 28.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.695 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -113.13 -47.54 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.59 -35.72 80.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 91.0 m -87.04 8.33 23.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.88 51.09 16.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.515 HG12 HD11 ' A' ' 106' ' ' ILE . 1.8 t -94.82 -31.75 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.695 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -105.96 75.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -48.95 -35.53 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.72 ' O ' HG22 ' A' ' 58' ' ' THR . . . 111.5 -31.59 7.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -77.58 -76.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.796 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.864 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.27 -42.08 88.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.23 120.86 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 54' ' ' GLY . 36.7 p -111.96 141.56 45.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.569 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -44.86 -24.02 0.68 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.666 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -70.61 -34.94 72.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -75.7 -52.13 11.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.81 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.2 p -58.89 -35.85 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -67.97 -48.74 65.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 60' ' ' THR . 23.4 mt -64.65 -48.74 83.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.8 t -52.54 -47.82 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.598 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 31.8 t80 -57.24 -31.56 65.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.62 -8.37 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.95 -9.94 27.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 65' ' ' VAL . 16.2 m -105.71 -24.89 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HB3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -100.97 -168.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.87 153.29 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -20.52 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -84.96 -55.6 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.38 156.25 23.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -128.04 4.01 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.14 160.47 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 82' ' ' PHE . 22.4 pt -118.14 152.16 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -103.13 159.31 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 13.1 t80 -41.84 -28.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.94 -49.06 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 81' ' ' GLU . 3.1 mp0 -76.77 -15.32 59.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 17.2 t80 -82.03 -36.07 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -73.48 -27.26 61.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -63.24 -46.67 85.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.52 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -61.37 -44.61 96.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.517 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 63.4 mt -53.88 -42.43 68.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 2.9 mt-10 -60.45 -43.44 96.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.426 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 15.1 mm-40 -69.02 -26.54 65.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.706 ' CD1' HG23 ' A' ' 62' ' ' VAL . 38.3 mt -99.62 1.86 44.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.53 -54.47 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.9 p -77.02 -21.33 54.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.864 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 12.1 mtpt -84.03 -28.16 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 27.5 tpt85 -82.67 -64.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.949 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 72.1 m-85 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -48.78 -47.23 42.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.27 -50.16 42.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.44 -51.71 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.38 78.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 38.1 t80 -67.08 -40.32 86.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.0 -22.38 60.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.949 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -80.61 -42.32 22.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' A' ' 109' ' ' LEU . 10.2 tt -75.51 -33.18 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.647 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.1 m -68.18 -31.19 70.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -74.44 -14.86 60.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 106' ' ' ILE . 71.6 mt -78.55 -26.04 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.574 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.5 mt -98.51 -62.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.38 115.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.72 -42.01 2.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.3 mttt -73.08 165.89 24.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -152.08 156.8 34.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.9 -26.43 0.25 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.555 HD22 ' SG ' ' A' ' 107' ' ' CYS . 50.2 tp -57.88 -81.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 6.5 tt0 -47.18 -25.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -74.01 -39.15 63.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.897 ' OG ' HG22 ' A' ' 110' ' ' ILE . 10.5 p -78.11 -45.19 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.46 -52.24 39.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -49.78 -48.22 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' SER . 74.3 mttt -49.23 -50.54 38.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.017 ' CD2' HD13 ' A' ' 45' ' ' LEU . 41.7 m-85 -69.99 -31.37 69.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -66.67 -47.64 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 27' ' ' HIS . 1.6 pt -92.15 13.34 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' ILE . 31.8 t-80 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -114.81 -14.99 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.791 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.551 ' OE1' HG23 ' A' ' 76' ' ' VAL . 8.3 mm-40 -136.29 158.19 45.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.2 ttm -138.31 121.08 16.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.3 m-20 -76.41 143.15 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.537 ' CA ' ' CE1' ' A' ' 66' ' ' PHE . . . -46.92 -29.29 4.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -38.65 78.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 73.4 m-20 -81.42 -29.55 33.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.81 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.0 t-105 -69.99 -67.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.03 -47.74 8.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -58.4 -49.06 78.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.017 HD13 ' CD2' ' A' ' 24' ' ' PHE . 13.5 tp -59.04 -27.59 65.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.606 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 57.5 m -92.18 23.16 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.349 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -134.69 -54.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.44 -38.56 87.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.8 m -76.31 -3.29 35.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.16 39.6 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.152 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.7 t -87.2 -37.45 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -101.29 84.64 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 93' ' ' ARG . 54.5 t0 -59.24 -35.36 73.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.651 ' O ' HG22 ' A' ' 58' ' ' THR . . . 112.14 -28.28 9.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.53 -75.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.849 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.33 -41.17 90.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t -116.3 120.11 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 54' ' ' GLY . 29.3 p -108.28 141.37 40.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.95 -24.38 0.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m -76.96 -36.61 56.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -68.26 -47.01 68.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.178 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.941 HG23 HD11 ' A' ' 89' ' ' LEU . 5.0 p -62.85 -41.08 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -41.18 83.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 mt -70.55 -47.93 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.535 HG22 ' HE3' ' A' ' 68' ' ' LYS . 5.1 t -54.35 -47.73 69.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CE1' ' CA ' ' A' ' 39' ' ' GLY . 44.2 t80 -57.96 -34.98 70.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.33 -2.07 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.535 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -99.55 -21.36 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 65' ' ' VAL . 22.2 m -93.36 -28.13 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.743 ' HB3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -101.0 177.38 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.67 151.82 23.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.15 -23.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -82.56 -66.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.3 143.22 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -114.04 6.43 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.551 HG23 ' OE1' ' A' ' 36' ' ' GLU . 3.7 m -139.96 170.11 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.743 HG22 ' HB3' ' A' ' 70' ' ' LYS . 23.3 pt -127.55 155.46 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' GLU . 19.0 p-10 -110.18 155.69 21.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 18' ' ' GLU . 16.8 t80 -41.33 -32.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.52 -45.77 82.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' ASN . 41.4 mt-10 -79.14 -38.92 34.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.641 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 15.1 t80 -57.37 -34.93 69.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.08 -30.03 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -66.93 -41.49 86.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -64.41 -43.95 92.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.641 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 45.5 mt -57.01 -36.98 71.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.572 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 4.3 mt-10 -64.96 -39.37 93.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -72.03 -25.44 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.941 HD11 HG23 ' A' ' 62' ' ' VAL . 63.2 mt -99.46 -5.42 29.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -66.52 -59.37 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.5 p -77.47 -38.37 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.399 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.849 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 13.5 mtpt -62.44 -13.49 30.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 24.1 tpt85 -108.68 -55.51 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.919 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 70.3 m-85 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.024 -0.362 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -56.46 -44.11 80.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -73.35 -52.95 12.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.59 -51.56 66.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -54.86 -57.14 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 40.0 t80 -55.23 -41.91 72.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -21.73 66.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.919 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -84.11 -45.81 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 109' ' ' LEU . 5.2 tt -68.2 -29.04 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.555 ' SG ' HD22 ' A' ' 17' ' ' LEU . 12.6 m -72.05 -24.22 61.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -79.83 -15.06 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 106' ' ' ILE . 52.9 mt -84.56 -31.0 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.897 HG22 ' OG ' ' A' ' 20' ' ' SER . 5.9 mt -97.15 -62.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -43.82 112.33 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.0 -37.54 3.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 110' ' ' ILE . 3.4 mttm -76.03 169.21 18.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 18.2 pm0 -151.86 156.73 34.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.039 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.9 -27.38 0.23 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.679 HD22 ' SG ' ' A' ' 107' ' ' CYS . 60.1 tp -54.36 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -46.91 -26.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.46 -38.72 65.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.707 ' OG ' HG22 ' A' ' 110' ' ' ILE . 9.7 p -76.1 -45.9 31.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' CD1' ' CG ' ' A' ' 82' ' ' PHE . 19.8 t80 -51.88 -50.9 60.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -53.13 -48.42 67.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 14.9 mttm -50.06 -42.88 50.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.942 ' CD2' HD13 ' A' ' 45' ' ' LEU . 29.8 m-85 -82.53 -22.92 34.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -73.02 -47.71 42.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 pt -91.83 16.27 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -113.75 -15.37 12.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -136.37 154.13 50.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 19.2 ttm -139.74 117.41 11.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.609 ' ND2' HG12 ' A' ' 76' ' ' VAL . 1.8 m120 -72.94 143.37 47.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.624 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.72 -39.23 23.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -61.55 -27.6 68.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -92.18 -32.3 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.755 ' HE1' HG22 ' A' ' 62' ' ' VAL . 2.2 t-105 -70.41 -66.2 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.3 -51.98 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -54.14 -36.66 63.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.942 HD13 ' CD2' ' A' ' 24' ' ' PHE . 11.6 tp -71.03 -27.15 63.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.485 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 58.7 m -92.97 24.89 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 -63.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.24 -39.06 78.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.422 ' SG ' HD12 ' A' ' 45' ' ' LEU . 60.0 m -71.63 -6.36 40.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt 67.37 42.11 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.4 t -92.8 -32.42 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -109.98 83.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -61.96 -32.01 72.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.971 ' O ' HG22 ' A' ' 58' ' ' THR . . . 114.46 -31.77 6.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.433 1.083 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -83.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 0.793 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.732 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -55.15 -41.94 72.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.45 118.7 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.971 HG22 ' O ' ' A' ' 54' ' ' GLY . 81.5 p -108.62 141.92 39.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.514 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -44.8 -23.97 0.66 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.577 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.2 m -72.84 -34.45 66.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.757 . . . . 0.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -75.09 -50.44 16.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.898 HG23 HD11 ' A' ' 89' ' ' LEU . 4.3 p -60.04 -36.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.11 -42.69 93.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 60' ' ' THR . 23.9 mt -70.04 -46.46 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.687 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -54.67 -51.32 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.624 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 6.7 t80 -60.08 -31.12 69.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -88.44 -9.07 53.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -95.66 -43.04 8.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.687 HG13 ' O ' ' A' ' 65' ' ' VAL . 6.4 m -66.94 -33.01 60.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 5.5 pttp -86.9 -173.29 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -114.09 165.43 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.93 -13.51 57.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.9 -64.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.04 148.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -111.86 -18.36 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.609 HG12 ' ND2' ' A' ' 38' ' ' ASN . 8.8 m -116.35 -176.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.423 HG22 ' HB3' ' A' ' 70' ' ' LYS . 2.9 pt -130.65 149.06 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.19 160.02 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.494 ' CZ ' ' HD3' ' A' ' 83' ' ' LYS . 16.0 t80 -43.91 -58.48 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.66 -34.7 12.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -82.46 -31.85 29.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 43.7 t80 -63.68 -32.78 74.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.494 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 4.0 mtmt -77.34 -26.25 51.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -43.72 89.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.558 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -67.59 -42.68 82.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 35.1 mt -56.75 -42.88 80.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.532 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -60.1 -39.78 87.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 57.5 mm-40 -70.74 -30.76 67.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.898 HD11 HG23 ' A' ' 62' ' ' VAL . 55.7 mt -93.43 -3.01 53.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -76.58 -58.12 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.4 p -77.33 -20.0 55.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.732 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 23.3 mtpt -84.01 -19.1 35.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 5.7 tpt180 -99.46 -66.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.879 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 78.6 m-85 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -40.94 97.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.98 -52.61 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.17 -51.88 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -54.55 -50.4 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.532 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 53.7 t80 -64.97 -37.99 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -21.86 66.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.879 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -85.14 -47.77 9.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.618 ' HA ' HD12 ' A' ' 109' ' ' LEU . 4.8 tt -63.61 -30.02 48.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.693 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 22.5 m -71.16 -25.35 62.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 108.291 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -79.15 -12.03 59.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 106' ' ' ILE . 34.1 mt -88.14 -34.37 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.707 HG22 ' OG ' ' A' ' 20' ' ' SER . 5.1 mt -97.37 -65.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -40.95 112.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.89 -41.47 2.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -71.19 158.78 35.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.69 156.13 78.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.52 0.28 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.6 tp -56.87 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -47.39 -29.35 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -71.19 -42.01 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.617 ' HB3' HG22 ' A' ' 110' ' ' ILE . 24.4 t -75.0 -46.49 34.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -52.12 -50.35 61.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -47.56 43.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 17.7 mttm -51.2 -47.87 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.071 ' CD2' HD13 ' A' ' 45' ' ' LEU . 49.2 m-85 -75.14 -29.81 60.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.417 ' CA ' ' HE3' ' A' ' 37' ' ' MET . . . -64.66 -47.83 77.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 10.6 pt -92.91 15.09 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CE1' ' HE2' ' A' ' 44' ' ' LYS . 12.0 t-80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.596 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -115.4 -14.16 11.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.61 ' HB3' HG21 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -141.39 154.31 45.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.417 ' HE3' ' CA ' ' A' ' 25' ' ' ALA . 29.5 ttm -136.31 117.26 14.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.463 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -73.17 144.31 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.635 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -50.76 -36.92 33.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -61.87 -31.88 72.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -87.36 -38.17 16.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.851 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.2 t-105 -60.93 -64.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.34 -49.67 33.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 27' ' ' HIS . 12.4 tttt -56.64 -39.6 73.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.071 HD13 ' CD2' ' A' ' 24' ' ' PHE . 13.7 tp -68.61 -26.43 65.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.598 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 14.4 m -91.59 27.41 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 -52.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -61.9 -36.64 81.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.5 m -79.86 0.13 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.33 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt 67.1 41.16 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -87.69 -40.78 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -97.24 -177.16 3.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -169.1 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.712 ' O ' HG22 ' A' ' 58' ' ' THR . . . 122.69 -19.34 7.96 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.22 -78.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.08 -44.46 84.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.9 t -123.54 122.55 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 54' ' ' GLY . 41.4 p -105.81 140.77 38.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -49.44 -20.57 2.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.632 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.4 m -77.12 -27.58 54.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.51 -46.89 16.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.858 HG23 HD11 ' A' ' 89' ' ' LEU . 4.0 p -60.4 -37.08 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -47.04 75.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 60' ' ' THR . 25.2 mt -64.97 -48.13 85.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.4 t -53.88 -50.86 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.635 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 6.0 t80 -59.95 -27.53 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -90.61 -12.08 38.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -90.77 -41.73 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 65' ' ' VAL . 11.8 m -68.39 -45.79 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 4.5 pttp -71.59 -175.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -121.68 147.49 45.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' ALA . 1.8 ttmm -40.29 -29.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -79.03 -73.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.68 148.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -114.41 -16.23 11.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 36' ' ' GLU . 34.6 m -119.93 -175.36 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.643 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.8 pt -133.41 148.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 81' ' ' GLU . 8.9 p-10 -104.43 157.72 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 14.0 t80 -40.89 -35.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.6 -48.51 77.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -75.46 -39.24 58.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.643 ' HB2' HD12 ' A' ' 77' ' ' ILE . 23.2 t80 -57.77 -34.15 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -29.35 63.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -69.69 -40.91 76.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.522 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.28 -45.18 92.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 56.0 mt -55.41 -44.11 75.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.584 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.2 mt-10 -58.05 -38.45 76.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.242 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -72.82 -27.28 61.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.858 HD11 HG23 ' A' ' 62' ' ' VAL . 53.8 mt -98.53 0.64 45.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.26 -57.19 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.2 p -77.08 -23.24 51.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.586 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.0 mtpt -79.57 -29.55 41.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 13.8 tpt180 -83.81 -65.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.95 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 75.4 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -47.93 -42.29 26.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.39 -49.71 14.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -55.31 -52.74 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.8 76.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.584 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 31.1 t80 -66.62 -40.27 88.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.64 -22.86 58.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.95 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -76.3 -43.57 40.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.579 ' HA ' HD12 ' A' ' 109' ' ' LEU . 12.5 tt -69.8 -29.36 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 57.9 m -72.38 -31.61 65.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -65.3 -11.12 38.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 106' ' ' ILE . 11.4 mt -92.66 -32.27 14.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.617 HG22 ' HB3' ' A' ' 20' ' ' SER . 7.0 mt -91.27 -64.35 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.63 115.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.26 -42.34 1.93 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER -66.6 168.92 8.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -148.84 157.18 40.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.44 -28.2 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.524 HD22 ' SG ' ' A' ' 107' ' ' CYS . 53.9 tp -56.57 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 6.9 tt0 -47.27 -29.13 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.73 -39.39 76.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB2' HG22 ' A' ' 110' ' ' ILE . 15.0 m -77.43 -47.3 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -50.66 -51.04 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -46.12 64.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -52.15 -56.0 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.986 ' CD1' HD13 ' A' ' 45' ' ' LEU . 40.6 m-85 -63.6 -31.99 73.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -63.16 -47.4 82.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.487 HG23 ' HA2' ' A' ' 34' ' ' GLY . 15.6 pt -88.82 11.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.616 ' CD2' ' CE ' ' A' ' 44' ' ' LYS . 16.8 t-80 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.601 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -114.38 -14.0 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.6 mp0 -126.99 152.18 47.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.544 ' HE1' HD22 ' A' ' 45' ' ' LEU . 34.4 ttm -137.47 118.58 14.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.7 m-20 -73.62 143.32 46.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.614 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.45 -35.6 10.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -63.73 -35.89 82.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ASN . 10.7 m-20 -83.22 -37.79 23.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.953 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.7 t-105 -60.06 -57.09 14.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 107.96 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.83 -52.34 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.616 ' CE ' ' CD2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -53.37 -37.04 62.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.986 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.3 tp -69.49 -25.63 64.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 31.8 m -93.36 33.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.33 -65.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -43.28 84.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.8 m -65.98 -9.78 33.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 108.293 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt 69.65 34.78 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.511 HG13 ' CG1' ' A' ' 106' ' ' ILE . 2.0 t -80.66 -36.32 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -94.33 -177.9 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.8 -43.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.724 ' O ' HG22 ' A' ' 58' ' ' THR . . . 119.33 -26.71 7.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.17 -79.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.786 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.85 -45.92 87.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.5 t -123.53 119.52 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 54' ' ' GLY . 57.7 p -99.93 139.34 35.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.91 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.67 -25.9 0.97 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -76.0 -40.5 53.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -58.8 -42.74 89.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.953 HG22 ' NE1' ' A' ' 42' ' ' TRP . 5.2 p -61.77 -25.97 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.54 -48.04 17.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.3 mt -60.45 -49.23 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.689 HG22 ' HE3' ' A' ' 68' ' ' LYS . 4.7 t -59.0 -42.16 85.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.614 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 14.0 t80 -60.6 -33.61 73.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 t -89.19 -7.03 56.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.689 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -94.44 -24.08 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 65' ' ' VAL . 19.4 m -90.29 -30.12 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.727 ' HB3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -95.04 178.52 5.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -113.25 144.04 43.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -40.3 -30.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.421 ' N ' ' C ' ' A' ' 71' ' ' ALA . 28.0 p -72.92 -73.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.47 145.53 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -113.26 -2.08 14.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.27 162.36 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.727 HG22 ' HB3' ' A' ' 70' ' ' LYS . 36.0 pt -115.79 150.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -105.59 160.11 15.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 18' ' ' GLU . 19.3 t80 -46.57 -26.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -76.07 -35.86 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 78' ' ' ASN . 27.8 mt-10 -90.24 -24.68 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 13.5 t80 -73.6 -28.66 61.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -28.89 61.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.89 -42.5 90.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.638 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.39 -44.97 93.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.717 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 43.1 mt -57.31 -31.5 65.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.565 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -71.39 -38.21 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -75.0 -30.42 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.503 HD11 HG23 ' A' ' 62' ' ' VAL . 55.5 mt -94.98 -8.87 35.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -64.75 -58.91 4.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 p -76.96 -41.93 41.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.786 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 12.7 mtpt -57.71 -20.32 33.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 52.2 tpt85 -100.34 -54.2 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.974 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.1 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -57.46 -44.94 85.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 104' ' ' ASP . 3.0 mm-40 -72.89 -52.65 13.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.66 -51.45 67.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -52.91 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 49.4 t80 -62.13 -32.76 73.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -71.88 -22.93 61.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.974 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -84.19 -45.99 12.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.525 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.3 tt -65.98 -34.49 70.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.524 ' SG ' HD22 ' A' ' 17' ' ' LEU . 34.0 m -68.93 -31.4 70.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.293 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -71.07 -15.43 62.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 106' ' ' ILE . 64.3 mt -84.07 -34.74 24.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.775 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.9 mt -94.12 -62.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -41.63 111.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 107.86 -41.01 2.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -73.69 169.09 18.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 6.6 pm0 -149.72 156.71 38.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.559 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.193 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.01 -24.25 0.47 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD22 ' SG ' ' A' ' 107' ' ' CYS . 57.3 tp -57.95 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.375 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.16 -26.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -73.57 -46.18 48.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB2' HG22 ' A' ' 110' ' ' ILE . 51.0 m -69.0 -42.27 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CE2' ' SD ' ' A' ' 37' ' ' MET . 6.2 t80 -54.72 -53.02 60.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -54.26 -45.38 72.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -50.24 -43.04 52.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.74 ' CD1' HD13 ' A' ' 45' ' ' LEU . 21.6 m-85 -82.86 -22.56 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.862 ' HB2' ' SD ' ' A' ' 37' ' ' MET . . . -75.05 -46.74 32.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.8 pt -89.41 24.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 115' ' ' PRO . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.572 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.434 ' HA3' ' CD ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -113.37 -4.27 13.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -134.49 151.11 50.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.862 ' SD ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -142.89 137.58 29.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -94.04 143.65 26.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.713 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -57.22 -17.36 23.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -72.3 -40.06 67.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' LEU . 1.4 m120 -83.15 -40.5 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.955 ' NE1' HG22 ' A' ' 62' ' ' VAL . 2.4 t-105 -52.02 -44.69 64.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 107.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' CYS . . . -69.08 -60.87 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -49.81 -24.65 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.74 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.8 tp -78.4 -31.99 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -72.65 -12.7 61.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 108.271 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -46.56 4.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.84 -43.15 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 m -82.76 -12.88 57.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm 71.53 42.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.279 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.544 HG12 HD11 ' A' ' 106' ' ' ILE . 2.6 t -82.74 -41.27 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . . . -91.27 -166.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -173.06 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.832 ' O ' HG22 ' A' ' 58' ' ' THR . . . 122.71 -25.12 6.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -84.43 -76.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -71.2 -38.81 72.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLY . 25.0 t -124.71 119.85 57.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.832 HG22 ' O ' ' A' ' 54' ' ' GLY . 57.6 p -106.4 140.56 39.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -48.6 -21.82 2.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.647 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -74.27 -28.97 61.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -79.78 -50.59 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.955 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.3 p -57.36 -34.66 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -72.01 -48.3 45.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.647 HD12 ' O ' ' A' ' 60' ' ' THR . 36.0 mt -63.62 -49.62 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -52.03 -49.03 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.713 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 2.3 t80 -58.61 -33.79 70.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.9 t -89.71 0.06 57.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -104.22 -23.64 13.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 65' ' ' VAL . 11.0 m -85.31 -42.34 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' VAL . 16.8 pttp -56.67 -164.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.32 -153.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -20.73 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.5 t -142.68 -88.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 54.1 171.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.769 ' O ' HG13 ' A' ' 76' ' ' VAL . 6.9 ptt180 -137.82 13.06 2.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -164.3 172.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 pt -129.13 155.11 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.2 p30 -104.07 158.54 16.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -43.06 -46.87 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -55.73 -36.95 67.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' ASN . 53.7 mt-10 -83.06 -23.51 33.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.679 ' CE2' HD11 ' A' ' 86' ' ' LEU . 47.3 t80 -73.61 -34.25 64.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -74.91 -27.54 60.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -66.28 -47.57 73.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.559 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -61.14 -44.5 97.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.679 HD11 ' CE2' ' A' ' 82' ' ' PHE . 39.2 mt -52.29 -42.6 63.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 16.8 mt-10 -59.19 -50.02 75.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 5.7 mm-40 -62.99 -26.67 68.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 62' ' ' VAL . 53.3 mt -99.3 2.1 45.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.26 -56.59 4.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.1 p -77.19 -19.08 57.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.938 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 9.0 mtpt -85.79 -23.87 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 45.0 tpt85 -89.01 -66.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.928 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 68.6 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.5 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -50.95 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 104' ' ' ASP . 14.7 mt-10 -68.1 -49.5 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -55.5 -51.7 66.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.72 95.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.605 ' O ' HG22 ' A' ' 106' ' ' ILE . 52.9 t80 -67.96 -35.16 77.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -77.34 -36.33 53.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.928 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -63.12 -39.86 95.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.643 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.8 tt -73.14 -27.88 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.473 ' SG ' HD22 ' A' ' 17' ' ' LEU . 17.6 m -71.09 -32.45 69.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -71.39 -14.04 62.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 106' ' ' ILE . 65.7 mt -82.34 -38.28 24.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.775 HG22 ' HB2' ' A' ' 20' ' ' SER . 4.5 mt -93.22 -60.53 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -41.13 105.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.76 -46.07 1.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.6 mttm -64.88 165.48 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.41 156.55 36.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.59 -13.12 2.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.775 HD22 ' SG ' ' A' ' 107' ' ' CYS . 59.8 tp -51.16 -74.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 10.7 tt0 -46.98 -30.15 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -69.1 -36.83 77.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' HG22 ' A' ' 110' ' ' ILE . 67.8 m -75.67 -49.02 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' ALA . 31.1 t80 -50.05 -52.61 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.434 ' NH1' ' OE1' ' A' ' 18' ' ' GLU . 2.8 mtt180 -48.93 -47.67 43.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 17.7 mttm -52.11 -53.01 47.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.96 ' CD1' HD13 ' A' ' 45' ' ' LEU . 45.8 m-85 -70.46 -25.42 63.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -73.57 -47.93 36.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.583 HG23 ' HA2' ' A' ' 34' ' ' GLY . 4.7 pt -92.13 16.58 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.623 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.583 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' OD1' ' A' ' 78' ' ' ASN . 4.9 mt-30 -115.43 -30.79 6.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.407 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -114.81 157.34 23.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.2 ttm -143.22 133.66 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -84.92 143.3 29.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.591 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.15 -32.15 6.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -42.54 83.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -76.64 -27.96 55.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.871 ' NE1' HG22 ' A' ' 62' ' ' VAL . 3.2 t-105 -70.2 -70.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.12 -54.7 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -54.07 -40.85 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.96 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.5 tp -66.08 -25.51 67.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.524 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 13.6 m -93.62 37.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -142.74 -68.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.62 -26.54 56.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.503 ' SG ' HD12 ' A' ' 45' ' ' LEU . 56.8 m -84.75 6.49 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 108.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.9 mptt 59.6 40.41 20.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.75 ' HA ' HD23 ' A' ' 109' ' ' LEU . 1.5 t -91.53 -40.89 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -105.63 -178.35 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.29 -42.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.778 ' O ' HG22 ' A' ' 58' ' ' THR . . . 125.14 -23.2 6.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.19 -79.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.666 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.59 -42.4 98.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.74 125.55 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.778 HG22 ' O ' ' A' ' 54' ' ' GLY . 44.4 p -108.23 140.6 41.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.01 -21.4 2.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.499 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -77.51 -29.37 52.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.356 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -78.94 -48.08 15.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.871 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.7 p -58.28 -37.21 61.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.53 -45.21 84.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 60' ' ' THR . 27.7 mt -63.88 -49.01 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -54.27 -45.36 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.591 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 32.9 t80 -60.71 -32.38 71.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 t -90.74 -4.87 56.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -21.66 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 65' ' ' VAL . 13.6 m -93.82 -35.33 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.12 -175.36 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -126.55 148.79 49.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -40.31 -29.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' ALA . 0.6 OUTLIER -74.82 -74.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.68 145.14 9.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.66 -10.68 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.6 m -122.31 168.83 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.3 pt -125.22 146.91 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' GLU . 36.3 m-20 -97.4 160.36 14.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 21.7 t80 -44.36 -32.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.87 -41.35 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' ASN . 36.6 mt-10 -82.89 -14.02 55.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.604 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 39.9 t80 -82.42 -34.04 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -72.3 -29.59 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -60.58 -57.11 14.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.6 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -52.15 -44.6 64.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.77 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 80.6 mt -57.27 -29.84 64.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.435 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -74.59 -36.84 63.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 61.0 mm-40 -76.12 -29.79 57.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.864 HD11 HG23 ' A' ' 62' ' ' VAL . 65.4 mt -94.93 -17.94 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -52.42 -61.52 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 p -69.73 -48.13 60.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.433 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.666 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 14.7 mtpt -55.35 -24.8 31.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 47.7 tpt85 -89.02 -52.76 4.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.79 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 82.9 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -55.63 -42.52 75.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.29 -52.49 10.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.58 -51.72 66.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.87 63.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.459 ' CE2' ' SG ' ' A' ' 107' ' ' CYS . 64.3 t80 -60.76 -36.51 79.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -28.39 68.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.79 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -78.86 -55.36 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.819 ' HA ' HD22 ' A' ' 109' ' ' LEU . 6.8 tt -57.2 -36.14 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.775 ' SG ' HD22 ' A' ' 17' ' ' LEU . 1.3 m -58.1 -33.8 69.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.48 -39.05 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.819 HD22 ' HA ' ' A' ' 106' ' ' ILE . 0.4 OUTLIER -48.29 -37.16 15.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.628 HG23 HD11 ' A' ' 45' ' ' LEU . 3.5 mt -98.28 -65.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . . . -39.72 123.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.2 -37.77 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.5 mttm -78.62 157.6 28.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.402 ' HG2' ' CD ' ' A' ' 23' ' ' LYS . 19.3 mt-10 -129.83 155.07 81.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.53 -13.36 2.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.646 HD22 ' SG ' ' A' ' 107' ' ' CYS . 20.8 tp -51.91 -64.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 11.2 tt0 -54.46 -32.99 58.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -63.71 -50.5 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.629 ' HB3' HG22 ' A' ' 110' ' ' ILE . 18.6 t -60.86 -46.35 90.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' ALA . 19.5 t80 -51.09 -53.92 29.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.474 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -50.48 -47.49 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -49.87 -53.87 23.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.985 ' CD2' HD13 ' A' ' 45' ' ' LEU . 47.5 m-85 -72.33 -25.68 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -71.16 -47.54 57.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 pt -87.43 12.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 38.2 t-80 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.606 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -113.59 -14.28 12.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -133.54 150.21 51.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ILE . 21.8 ttm -138.25 117.27 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.4 m-20 -74.28 143.33 45.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.583 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.84 -35.92 13.06 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -32.94 74.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' ASN . 48.0 m-20 -85.49 -35.74 20.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.821 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.6 t-105 -65.61 -60.45 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.74 -48.78 66.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.22 -48.99 79.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.985 HD13 ' CD2' ' A' ' 24' ' ' PHE . 10.9 tp -57.17 -30.61 64.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' ALA . 81.2 m -84.21 5.13 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.341 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.813 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -113.95 -54.6 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -32.44 70.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 92.0 m -91.01 15.75 10.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.87 51.12 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.5 t -95.12 -28.58 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.813 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -110.56 80.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -53.72 -35.27 60.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.955 ' O ' HG22 ' A' ' 58' ' ' THR . . . 112.02 -33.62 5.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -74.49 -75.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.683 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -64.65 -41.23 96.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.421 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 3.1 t -119.49 122.37 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.955 HG22 ' O ' ' A' ' 54' ' ' GLY . 69.7 p -112.35 142.28 45.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.551 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -44.21 -23.98 0.52 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.481 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -72.63 -35.47 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -74.66 -50.1 18.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.87 HG23 HD11 ' A' ' 89' ' ' LEU . 4.6 p -60.54 -37.03 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.68 -42.14 98.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 60' ' ' THR . 28.7 mt -71.78 -47.36 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.4 t -54.18 -47.46 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.6 t80 -59.51 -33.06 70.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 t -91.53 -5.55 53.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.533 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.1 -22.67 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 65' ' ' VAL . 23.6 m -87.46 -34.28 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 66' ' ' PHE . 1.1 pttp -91.09 -160.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.49 179.3 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.91 -11.71 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.1 -74.93 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.9 151.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -2.09 8.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.6 160.94 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.9 pt -120.52 154.73 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -107.15 159.94 15.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.7 t80 -41.75 -28.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -73.12 -48.68 33.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 78' ' ' ASN . 49.4 mt-10 -77.28 -16.67 58.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.699 ' CE2' HD11 ' A' ' 86' ' ' LEU . 11.8 t80 -82.36 -32.81 29.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -72.07 -29.61 64.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -62.52 -55.24 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.598 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -50.32 -48.03 55.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.699 HD11 ' CE2' ' A' ' 82' ' ' PHE . 97.5 mt -53.81 -39.8 65.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.579 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.6 mt-10 -63.32 -36.27 83.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 56.1 mm-40 -76.88 -26.36 54.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.87 HD11 HG23 ' A' ' 62' ' ' VAL . 61.1 mt -98.68 -0.61 42.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -77.56 -57.74 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.1 p -76.81 -21.77 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.374 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.683 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 23.6 mtpt -82.01 -21.66 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 19.9 tpt85 -97.19 -66.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.896 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 72.9 m-85 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 10.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -60.17 -42.07 94.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.9 mt-10 -73.94 -53.39 10.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 105' ' ' ALA . 1.2 mt-10 -58.5 -52.07 67.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -54.89 -41.58 71.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.579 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 80.1 t80 -75.19 -29.6 60.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.2 OUTLIER -79.55 -22.19 44.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -81.13 -33.3 33.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.576 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.8 tt -78.48 -32.12 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.646 ' SG ' HD22 ' A' ' 17' ' ' LEU . 84.9 m -68.81 -36.1 77.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 108.294 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -67.17 -15.34 63.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 106' ' ' ILE . 77.4 mt -83.05 -39.04 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.629 HG22 ' HB3' ' A' ' 20' ' ' SER . 6.6 mt -87.02 -66.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.04 125.55 1.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.11 -40.04 2.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -75.17 164.72 26.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.89 156.71 35.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.111 0 O-C-N 124.554 1.818 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 165.02 -28.63 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.615 HD22 ' SG ' ' A' ' 107' ' ' CYS . 45.4 tp -57.21 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 7.2 tt0 -48.19 -24.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -73.92 -34.19 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.92 -44.21 15.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' ALA . 33.1 t80 -50.04 -52.62 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.462 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -52.0 -47.45 64.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -50.26 -48.67 54.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.857 ' CD1' HD13 ' A' ' 45' ' ' LEU . 39.9 m-85 -76.54 -26.83 55.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -71.13 -47.98 54.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pt -93.45 16.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 27' ' ' HIS . 1.8 t-80 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.628 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -110.46 -4.59 15.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.15 152.68 38.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ILE . 13.0 ttm -145.47 120.35 9.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 41' ' ' ASN . 2.0 m-20 -73.64 143.35 46.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.575 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -46.44 -39.63 10.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -63.25 -37.19 86.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASN . 38.7 m-20 -82.05 -6.74 59.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.776 ' HE1' HG22 ' A' ' 62' ' ' VAL . 3.3 t-105 -96.47 -62.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 108.01 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.02 -44.2 67.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -61.33 -46.89 88.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.857 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.3 tp -55.28 -28.56 54.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.507 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 66.3 m -77.24 -54.04 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.708 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -58.75 -36.54 74.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -30.93 64.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 66.4 m -99.79 15.51 26.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' CYS . 6.4 mmtm 43.71 47.17 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.9 t -90.69 -35.63 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.708 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -102.01 66.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -40.67 -37.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.854 ' O ' HG22 ' A' ' 58' ' ' THR . . . 115.08 -35.06 4.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -75.12 -76.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.89 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -67.05 -34.21 77.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 52' ' ' ALA . 25.5 t -123.19 117.64 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.854 HG22 ' O ' ' A' ' 54' ' ' GLY . 61.0 p -107.37 141.33 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.465 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -43.91 -24.99 0.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 64' ' ' ILE . 2.8 m -76.03 -38.82 56.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.743 . . . . 0.0 110.426 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.1 m-20 -67.8 -46.65 71.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.801 HG23 HD11 ' A' ' 89' ' ' LEU . 10.5 p -64.31 -44.82 97.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -52.98 60.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 60' ' ' THR . 16.9 mt -58.71 -47.17 89.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.528 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 5.0 t -53.64 -47.02 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 13.4 t80 -59.62 -33.51 71.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.94 -3.96 56.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -19.6 19.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -95.96 -21.13 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 71' ' ' ALA . 0.3 OUTLIER -104.32 -173.92 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' O ' ' CE ' ' A' ' 70' ' ' LYS . . . -108.18 -166.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -16.44 28.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.08 -60.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.29 149.16 5.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.75 7.96 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.39 155.47 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' MET . 1.4 pt -116.61 153.66 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 81' ' ' GLU . 8.6 m-20 -103.92 158.29 16.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 19.7 t80 -39.98 -37.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.67 -48.6 74.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' ASN . 95.7 mt-10 -74.81 -14.01 60.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.667 ' CE2' HD11 ' A' ' 86' ' ' LEU . 39.4 t80 -82.11 -37.57 26.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -68.48 -30.29 69.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -60.34 -58.05 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -49.5 -47.36 48.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.667 HD11 ' CE2' ' A' ' 82' ' ' PHE . 82.9 mt -53.24 -40.07 64.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.577 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.9 mt-10 -64.62 -37.18 86.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -76.71 -27.44 55.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.801 HD11 HG23 ' A' ' 62' ' ' VAL . 48.1 mt -98.16 -0.2 44.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.539 ' HB1' ' C ' ' A' ' 102' ' ' ALA . . . -75.75 -57.3 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.8 p -74.33 -21.66 59.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.89 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 8.6 mtpt -84.22 -22.95 30.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 21.0 tpt85 -89.1 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.719 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 90.0 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -59.22 -48.25 82.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 104' ' ' ASP . 21.8 mt-10 -77.37 -44.79 28.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.12 -52.84 63.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.539 ' C ' ' HB1' ' A' ' 90' ' ' ALA . . . -59.99 -28.66 67.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.652 ' O ' HG22 ' A' ' 106' ' ' ILE . 82.1 t80 -82.85 -35.99 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.2 OUTLIER -77.33 -27.39 52.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.719 ' HB1' ' CZ ' ' A' ' 94' ' ' PHE . . . -75.47 -35.34 60.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 103' ' ' PHE . 5.8 tt -73.05 -28.02 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.615 ' SG ' HD22 ' A' ' 17' ' ' LEU . 35.2 m -73.69 -28.0 61.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 108.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.04 -8.23 53.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 106' ' ' ILE . 19.6 mt -93.8 -16.73 23.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLY . 4.7 mt -113.76 -59.77 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -44.83 96.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 124.25 -42.31 1.58 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -69.66 157.57 37.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -134.98 155.0 79.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.544 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.45 -20.75 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 111' ' ' ALA . 60.4 tp -59.27 -77.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 4.5 tt0 -47.39 -27.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -71.17 -36.03 71.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.476 ' OG ' HG22 ' A' ' 110' ' ' ILE . 1.1 p -80.7 -46.78 15.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 25' ' ' ALA . 32.3 t80 -49.61 -52.81 27.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -44.39 37.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -57.46 -44.98 85.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.856 ' CD2' HD13 ' A' ' 45' ' ' LEU . 37.3 m-85 -77.04 -22.85 52.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -78.92 -47.17 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 pt -90.66 22.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 115' ' ' PRO . 2.9 t-160 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.617 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -115.98 -3.58 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -140.3 144.94 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.1 ttm -136.62 116.12 12.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.91 143.9 45.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.584 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -50.47 -36.59 31.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -27.75 68.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -91.69 -38.87 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.834 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.7 t-105 -62.78 -69.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.36 -55.02 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -56.28 -40.99 75.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.856 HD13 ' CD2' ' A' ' 24' ' ' PHE . 10.4 tp -63.12 -26.95 69.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 70.8 m -79.75 -11.33 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -105.19 -49.64 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -33.35 64.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.451 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 53.6 m -94.15 16.25 15.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 108.257 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mptt 45.72 40.69 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.1 t -79.47 -38.84 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB3' ' CE ' ' A' ' 47' ' ' LYS . . . -96.81 -174.85 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -170.84 -42.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.753 ' O ' HG22 ' A' ' 58' ' ' THR . . . 124.6 -21.47 6.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -83.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.766 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -62.04 -40.21 94.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.89 121.42 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.753 HG22 ' O ' ' A' ' 54' ' ' GLY . 70.6 p -103.4 140.08 37.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -49.24 -21.37 2.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 m -78.53 -29.28 46.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -73.84 -46.06 47.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.834 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.4 p -61.05 -36.59 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.95 -39.15 87.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.455 HG22 ' CD ' ' A' ' 68' ' ' LYS . 44.3 mt -71.75 -50.49 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.505 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.6 t -54.0 -49.1 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 33.2 t80 -54.86 -27.8 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.446 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 1.4 t -89.61 -23.81 21.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' CD ' HG22 ' A' ' 64' ' ' ILE . 12.0 mtpt -75.93 -39.45 56.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 70' ' ' LYS . 14.7 m -71.1 -49.84 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' HG23 ' A' ' 69' ' ' VAL . 5.4 pttp -74.18 176.52 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -106.75 169.71 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -10.71 53.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.4 t -98.85 -65.18 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.05 148.46 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -29.43 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.2 m -106.3 178.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.8 pt -130.78 141.32 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -91.98 158.34 16.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 13.2 t80 -38.97 -62.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -49.64 -34.16 17.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' ASN . 50.1 mt-10 -82.66 -21.9 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 6.6 t80 -81.07 -25.7 36.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.515 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 4.3 mtmt -74.22 -33.14 63.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -56.57 -48.29 77.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.704 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -56.1 -47.99 77.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.758 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 88.7 mt -55.29 -36.31 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.452 ' OE2' ' CE ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.23 -31.15 69.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -84.44 -29.01 26.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.668 HD11 HG23 ' A' ' 62' ' ' VAL . 50.5 mt -99.11 1.46 45.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -74.73 -55.93 5.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.5 p -77.04 -20.16 56.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.766 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 8.8 mtpt -86.21 -15.97 39.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 35.3 tpt85 -97.65 -66.72 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.762 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 67.2 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.452 ' CE ' ' OE2' ' A' ' 87' ' ' GLU . 5.6 tttm -78.89 -49.1 13.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.41 -45.27 26.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.66 -51.25 67.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -58.08 -55.85 29.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.635 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.6 OUTLIER -54.8 -43.59 73.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -21.8 63.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.762 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -84.94 -30.53 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 103' ' ' PHE . 1.8 tt -79.51 -27.38 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 24.7 m -72.49 -23.42 61.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.37 -15.19 53.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 106' ' ' ILE . 65.9 mt -83.99 -29.21 27.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.476 HG22 ' OG ' ' A' ' 20' ' ' SER . 4.9 mt -100.38 -61.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -43.59 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 122.51 -44.74 1.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -65.29 172.39 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -146.62 157.35 48.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.83 -9.86 3.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.59 ' HA ' ' HB2' ' A' ' 111' ' ' ALA . 28.9 tp -46.84 -68.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.512 ' CG ' ' CE1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -54.44 -31.44 55.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -54.31 48.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.781 ' OG ' HG22 ' A' ' 110' ' ' ILE . 9.2 p -61.39 -46.69 89.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -49.86 -53.18 27.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -44.92 62.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -55.17 -51.24 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.052 ' CD1' HD13 ' A' ' 45' ' ' LEU . 28.4 m-85 -69.14 -31.74 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -62.06 -47.58 84.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.491 HG23 ' HA2' ' A' ' 34' ' ' GLY . 10.6 pt -89.44 12.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 20.2 t-80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.55 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.491 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -113.23 -4.96 13.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 3.5 mt-10 -133.91 150.48 51.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.4 ttm -133.25 115.71 15.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' HA ' HG12 ' A' ' 76' ' ' VAL . 1.5 m-20 -74.2 143.6 45.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.648 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.86 -22.41 2.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -76.32 -34.76 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ASN . 98.2 m-20 -87.11 -25.67 24.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.902 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.2 t-105 -71.64 -63.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.023 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.04 -43.98 67.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.04 87.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.052 HD13 ' CD1' ' A' ' 24' ' ' PHE . 16.1 tp -63.23 -28.77 70.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.561 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 24.2 m -92.62 30.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 108.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -142.32 -54.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -33.62 76.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.0 m -79.67 -1.37 37.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.92 40.49 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.7 t -90.49 -40.19 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -103.32 97.89 7.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.25 -32.99 65.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.736 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.79 -24.37 12.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.76 -80.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -57.67 -36.61 72.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 t -127.65 119.0 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.736 HG22 ' O ' ' A' ' 54' ' ' GLY . 77.2 p -106.1 141.34 37.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.413 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -47.77 -21.89 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.659 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -75.13 -28.91 60.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.38 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -79.2 -50.06 11.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.902 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -58.38 -33.56 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -68.15 -48.96 63.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 60' ' ' THR . 16.8 mt -63.2 -46.57 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.717 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.9 t -56.34 -49.88 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.648 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 5.3 t80 -57.27 -29.13 63.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -87.93 -23.76 23.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -29.43 32.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 65' ' ' VAL . 12.1 m -82.31 -33.75 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -87.96 167.97 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 72' ' ' LYS . . . -103.17 141.11 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 71' ' ' ALA . 21.9 tttm -39.84 -37.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -70.93 -58.49 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.72 145.76 55.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -23.3 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 38' ' ' ASN . 1.2 m -108.34 174.23 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 2.8 pt -125.02 150.9 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.491 ' OD1' ' CG ' ' A' ' 81' ' ' GLU . 8.4 p30 -105.13 159.34 15.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' CE1' ' CG ' ' A' ' 18' ' ' GLU . 16.7 t80 -38.35 -54.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -48.79 -41.94 34.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.491 ' CG ' ' OD1' ' A' ' 78' ' ' ASN . 67.6 mt-10 -74.63 -37.28 62.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 86' ' ' LEU . 68.9 t80 -57.37 -33.09 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 3.1 mtmt -77.7 -26.37 50.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -42.24 77.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.667 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -71.8 -41.16 68.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 82' ' ' PHE . 16.0 mt -57.64 -43.19 84.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.546 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.7 mt-10 -60.65 -46.02 91.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -64.62 -28.59 69.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.832 HD11 HG23 ' A' ' 62' ' ' VAL . 62.6 mt -99.52 2.52 44.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.46 -57.48 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.8 p -77.9 -30.31 50.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.79 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.3 mtpt -70.57 -29.55 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 41.3 tpt85 -87.71 -62.34 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.942 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 52.5 m-85 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.0 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -58.99 -43.38 91.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.19 -53.01 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.27 -52.66 63.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -53.98 -49.17 69.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 56.9 t80 -65.32 -38.53 90.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -21.31 63.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.942 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -85.44 -34.49 21.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.502 ' HA ' HD12 ' A' ' 109' ' ' LEU . 3.2 tt -80.38 -32.5 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.467 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 89.4 m -69.82 -31.91 70.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -73.98 -19.05 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 106' ' ' ILE . 65.3 mt -75.58 -44.49 42.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.781 HG22 ' OG ' ' A' ' 20' ' ' SER . 5.3 mt -83.11 -68.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 17' ' ' LEU . . . -39.94 117.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.12 -37.81 3.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -75.01 175.2 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -141.25 154.6 67.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.405 ' C ' ' HA ' ' A' ' 111' ' ' ALA . . . 161.02 -26.26 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.652 HD22 ' SG ' ' A' ' 107' ' ' CYS . 54.9 tp -59.01 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 21.3 tt0 -47.2 -24.58 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -69.61 -48.15 61.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -38.13 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' ALA . 32.1 t80 -51.5 -57.14 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.571 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -50.28 -45.81 54.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -49.62 -50.59 42.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.731 ' CD1' HD13 ' A' ' 45' ' ' LEU . 40.9 m-85 -77.69 -24.48 49.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -73.12 -38.52 66.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.7 pt -83.88 8.64 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.662 179.91 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -129.74 6.1 5.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.546 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 3.2 mp0 -137.17 141.79 42.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.657 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 35.7 ttm -137.26 116.25 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -73.86 144.41 45.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -47.66 -37.66 14.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -30.68 71.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ASN . 83.2 m-20 -89.8 -36.93 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.907 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.7 t-105 -62.47 -48.87 77.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' SG ' ' A' ' 46' ' ' CYS . . . -66.68 -54.83 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -28.67 16.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.731 HD13 ' CD1' ' A' ' 24' ' ' PHE . 12.6 tp -78.33 -27.32 47.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -80.57 -10.83 59.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 108.279 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -104.86 -44.45 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -36.98 82.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' CB ' ' A' ' 113' ' ' LYS . 50.5 m -87.29 -12.23 47.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.431 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 0.6 OUTLIER 72.08 41.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.6 t -84.2 -41.6 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . . . -94.21 66.6 3.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 3.5 p-10 -40.61 -31.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 58' ' ' THR . . . 106.17 -20.98 34.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -84.11 -83.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.845 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.15 -26.71 67.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 52' ' ' ALA . 7.1 t -128.01 119.67 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 54' ' ' GLY . 25.2 p -108.25 142.0 39.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.438 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -48.12 -21.53 1.82 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.486 ' O ' HD12 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -74.88 -27.27 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -79.58 -49.83 11.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.907 HG22 ' NE1' ' A' ' 42' ' ' TRP . 3.8 p -56.82 -36.39 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -39.51 82.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.667 HG22 ' HD2' ' A' ' 68' ' ' LYS . 41.6 mt -70.87 -50.87 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.4 t -56.11 -48.35 79.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.569 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 32.5 t80 -54.4 -27.24 35.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.48 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -86.98 -22.97 25.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.667 ' HD2' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -80.13 -39.72 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 65' ' ' VAL . 11.6 m -68.6 -28.09 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 26.5 pttt -102.84 179.43 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 70' ' ' LYS . . . -107.32 -175.51 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -81.9 -4.61 56.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.58 -76.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.08 148.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.41 -7.98 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.63 170.66 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.9 pt -124.21 152.66 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -102.85 158.18 16.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 14.1 t80 -38.44 -38.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.41 -48.89 71.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' ASN . 96.0 mt-10 -72.71 -17.04 61.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.443 ' HE1' HD23 ' A' ' 45' ' ' LEU . 32.6 t80 -80.76 -37.7 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -73.35 -26.91 61.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -62.47 -48.38 79.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.585 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -60.09 -44.35 94.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.725 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 60.9 mt -55.39 -34.2 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.575 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.2 mt-10 -69.63 -41.94 74.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -73.48 -27.68 61.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.662 ' CD1' HG23 ' A' ' 62' ' ' VAL . 57.8 mt -97.62 -4.59 37.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -72.67 -55.91 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.3 p -73.73 -20.96 60.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.845 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 18.6 mtpt -86.32 -25.05 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 10.1 tpt180 -83.18 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.911 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.0 m-85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -50.7 -43.14 57.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.25 -50.78 15.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.34 -52.0 64.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.95 -46.18 82.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 82.9 t80 -63.05 -40.87 98.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -23.66 62.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.911 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -78.37 -40.42 36.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.609 ' HA ' HD12 ' A' ' 109' ' ' LEU . 8.9 tt -74.85 -28.39 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.652 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.3 m -69.57 -29.21 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.81 -11.8 59.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 106' ' ' ILE . 72.7 mt -85.32 -19.24 31.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.6 mt -112.24 -49.06 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.405 ' HA ' ' C ' ' A' ' 16' ' ' GLY . . . -47.57 96.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 122.07 -36.52 3.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.48 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -58.48 168.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.59 144.67 10.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.204 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.39 -15.0 2.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.9 tp -49.61 -74.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.08 -36.31 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -59.98 -45.8 91.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.696 ' HB2' HG22 ' A' ' 110' ' ' ILE . 16.0 m -65.6 -50.26 65.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' ALA . 24.2 t80 -50.15 -52.62 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -49.46 -44.89 46.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.318 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -56.34 -55.18 36.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.866 ' CD1' HD13 ' A' ' 45' ' ' LEU . 40.1 m-85 -66.36 -27.27 67.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -74.06 -47.53 36.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 22' ' ' ARG . 2.4 pt -89.7 9.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -100.57 -9.66 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.8 mt-10 -138.6 147.55 43.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 24' ' ' PHE . 6.9 ttm -135.66 124.02 23.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 2.8 p30 -79.33 143.47 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.615 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -52.66 -19.51 6.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -73.64 -36.58 65.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 26.6 m-20 -87.54 -38.28 16.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.93 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.6 t-105 -56.67 -61.05 2.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.59 -51.82 52.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -55.8 -40.27 72.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.866 HD13 ' CD1' ' A' ' 24' ' ' PHE . 12.3 tp -65.75 -27.65 68.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 52' ' ' ALA . 56.2 m -88.43 11.25 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.647 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -125.0 -44.04 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -29.49 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 66.7 m -90.98 16.08 10.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.19 43.65 22.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -88.09 -40.35 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.647 ' HB3' ' CE ' ' A' ' 47' ' ' LYS . . . -107.17 91.27 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.43 -36.58 84.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.576 ' O ' HG22 ' A' ' 58' ' ' THR . . . 117.75 -34.58 4.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -80.77 -79.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 0.722 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.17 -40.28 67.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.843 HG13 ' CG ' ' A' ' 61' ' ' ASP . 7.2 t -127.24 141.79 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 54' ' ' GLY . 22.4 p -120.21 143.52 48.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.673 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.41 -23.83 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 58' ' ' THR . 19.5 m -73.49 -24.72 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.999 ' OD2' HD22 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -74.4 -39.51 62.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.93 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.9 p -73.19 -32.39 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -47.77 65.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.2 mt -61.73 -52.3 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.578 HG22 ' HE3' ' A' ' 68' ' ' LYS . 6.6 t -55.61 -46.0 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.615 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 35.7 t80 -60.41 -28.7 68.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.431 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -95.85 -2.25 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -99.68 -29.0 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 65' ' ' VAL . 16.5 m -83.05 -45.4 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.0 pttt -72.1 -167.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -128.08 155.4 44.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -21.41 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 t -88.12 -61.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 147.53 39.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -114.59 -26.74 7.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 m -104.39 162.59 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.6 pt -115.76 156.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -112.02 156.68 21.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -37.9 -47.27 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -55.04 -48.91 72.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' ASN . 44.7 mm-40 -73.33 -43.55 60.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.649 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 20.1 t80 -54.02 -49.17 69.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -64.23 -26.97 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -45.84 79.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.498 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -60.48 -46.95 88.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 79.2 mt -54.2 -39.15 66.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 9.1 mm-40 -63.64 -36.8 85.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -74.04 -29.72 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.999 HD22 ' OD2' ' A' ' 61' ' ' ASP . 15.8 mt -94.9 -5.98 43.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -61.99 -54.55 40.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.6 p -76.24 -46.17 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -56.19 -20.53 18.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 31.3 tpt85 -98.82 -53.33 3.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.916 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 79.0 m-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 10.5 tttt -57.42 -41.62 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.64 -52.25 10.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.17 -51.71 65.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.446 ' HB1' ' C ' ' A' ' 90' ' ' ALA . . . -58.39 -57.01 14.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.595 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 71.4 t80 -55.31 -40.76 71.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.73 -27.83 69.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.916 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -80.31 -57.22 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.564 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.0 tt -55.16 -37.8 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 37.0 m -65.38 -39.92 92.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -62.75 -25.58 68.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 106' ' ' ILE . 64.4 mt -72.16 -34.45 68.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.696 HG22 ' HB2' ' A' ' 20' ' ' SER . 9.0 mt -88.87 -65.72 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.73 117.34 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.59 -42.22 1.96 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.4 mttm -71.28 150.13 45.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -125.12 158.52 63.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.577 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.36 -23.94 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.446 HD22 ' SG ' ' A' ' 107' ' ' CYS . 56.9 tp -58.32 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 15.6 tt0 -47.34 -30.31 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 110.296 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -68.35 -46.56 69.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -68.98 -43.7 74.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' ALA . 24.3 t80 -50.06 -54.33 21.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.442 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -52.71 -44.3 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 28.0 mttt -52.09 -56.2 15.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.653 ' CD1' HD13 ' A' ' 45' ' ' LEU . 41.4 m-85 -70.47 -27.23 64.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -68.34 -47.45 67.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 pt -89.64 16.35 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.617 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -102.91 -10.43 19.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.26 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 3.5 mt-10 -136.73 148.54 47.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.519 ' HE1' ' HB3' ' A' ' 24' ' ' PHE . 23.9 ttm -136.69 121.33 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.51 143.93 46.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.582 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -48.99 -35.62 18.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -62.9 -34.41 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.356 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.49 -35.99 22.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.87 ' NE1' HG22 ' A' ' 62' ' ' VAL . 7.5 t-105 -62.64 -60.22 3.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 108.025 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.74 70.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -55.19 -52.87 61.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' A' ' 24' ' ' PHE . 7.1 tp -47.75 -42.4 25.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.461 ' O ' HG23 ' A' ' 51' ' ' VAL . 53.5 m -62.5 -60.35 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 108.265 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 50' ' ' LYS . 39.1 tttt -46.06 -59.8 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -33.46 60.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.519 ' SG ' HD12 ' A' ' 45' ' ' LEU . 41.0 m -90.19 16.01 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.283 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 mptp? 41.07 41.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.478 HG23 ' HB2' ' A' ' 49' ' ' CYS . 3.5 t -88.89 -39.37 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.82 87.94 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' OD2' ' NE ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -73.88 -27.54 61.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 1.002 ' O ' HG22 ' A' ' 58' ' ' THR . . . 111.64 -36.01 4.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.533 1.145 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -76.64 -78.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -62.08 -35.36 78.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' GLY . 11.3 t -131.38 119.37 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 1.002 HG22 ' O ' ' A' ' 54' ' ' GLY . 52.3 p -103.27 140.95 36.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.434 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.91 -22.16 1.92 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -77.62 -32.61 53.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.794 . . . . 0.0 110.389 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -73.27 -46.98 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.87 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -60.76 -37.26 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -64.78 -48.19 75.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.8 mt -61.51 -50.85 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.2 t -54.85 -49.22 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 13.6 t80 -55.87 -30.9 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.482 ' HA ' ' CE ' ' A' ' 70' ' ' LYS . 3.0 t -89.18 -10.22 47.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -95.89 -21.78 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 65' ' ' VAL . 10.5 m -88.34 -33.44 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.533 ' HB3' HG22 ' A' ' 77' ' ' ILE . 9.7 pttt -82.05 -176.65 6.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.64 -154.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -76.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.97 -72.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 47.43 -137.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 168.24 -29.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.69 164.35 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.533 HG22 ' HB3' ' A' ' 70' ' ' LYS . 2.2 pt -127.4 155.85 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.4 159.24 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.4 t80 -44.42 -48.26 9.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -54.44 -48.74 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.14 -37.92 72.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.411 ' HB2' HD12 ' A' ' 77' ' ' ILE . 16.8 t80 -56.45 -51.08 69.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -64.56 -26.37 68.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -41.43 97.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.514 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -67.75 -42.8 81.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ALA . 32.7 mt -55.1 -45.25 75.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.574 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 2.4 mm-40 -57.49 -41.34 80.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 58.4 mm-40 -70.61 -32.54 69.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.788 HD11 HG23 ' A' ' 62' ' ' VAL . 62.8 mt -91.38 -0.09 57.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -77.06 -52.39 9.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 p -76.97 -23.74 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.64 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 8.7 mtpp -82.25 -28.91 31.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 5.8 tpt180 -83.43 -65.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.947 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.0 m-85 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -48.54 -46.9 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.54 -50.31 46.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.43 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 8.2 mm-40 -55.79 -51.57 66.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -52.31 66.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 67.9 t80 -55.66 -42.59 75.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -22.63 62.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.947 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -81.48 -40.45 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.877 ' HA ' HD12 ' A' ' 109' ' ' LEU . 8.3 tt -76.31 -30.53 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.446 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.1 m -69.48 -34.23 74.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.13 . . . . 0.0 108.337 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.77 -19.77 65.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 106' ' ' ILE . 13.1 mt -77.92 -40.13 40.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' ALA . 4.9 mt -88.89 -66.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.32 109.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.99 -40.87 2.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.6 OUTLIER -69.89 169.72 12.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 1.4 pm0 -151.56 149.65 24.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 23' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 166.78 -29.8 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.797 HD22 ' SG ' ' A' ' 107' ' ' CYS . 15.4 tp -52.48 -73.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.793 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 29.7 tt0 -47.6 -25.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -76.52 -36.94 57.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.729 ' HB3' HG22 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -77.17 -43.38 34.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -49.92 -53.59 25.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -45.72 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 25.1 mttt -54.23 -55.94 23.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 1.061 ' CD2' HD13 ' A' ' 45' ' ' LEU . 44.1 m-85 -66.4 -24.56 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' CA ' ' HE3' ' A' ' 37' ' ' MET . . . -75.86 -47.38 25.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' HIS . 4.0 pt -90.42 9.85 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ILE . 6.7 t-80 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.573 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -107.77 -4.54 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.42 146.52 38.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.475 ' HE3' ' CA ' ' A' ' 25' ' ' ALA . 23.5 ttm -137.56 116.27 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -73.22 143.57 47.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.649 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.37 -28.78 6.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -42.12 67.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -79.9 -17.19 53.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.832 ' NE1' HG22 ' A' ' 62' ' ' VAL . 2.6 t-105 -80.62 -53.88 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.059 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.71 68.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -54.35 -37.83 65.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.061 HD13 ' CD2' ' A' ' 24' ' ' PHE . 10.5 tp -68.46 -26.59 65.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.512 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 57.2 m -94.61 24.08 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -132.38 -62.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.01 -40.05 75.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.534 ' SG ' ' CZ ' ' A' ' 24' ' ' PHE . 64.9 m -70.62 -6.81 39.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.358 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 69.94 43.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.489 HG13 HG13 ' A' ' 106' ' ' ILE . 2.1 t -91.68 -41.12 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -96.88 178.09 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -159.37 -44.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.853 ' O ' HG22 ' A' ' 58' ' ' THR . . . 123.21 -21.96 7.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -84.97 -77.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.97 72.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.1 t -121.45 118.36 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.853 HG22 ' O ' ' A' ' 54' ' ' GLY . 45.4 p -103.63 141.86 35.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.405 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.56 -22.04 1.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.4 m -79.2 -32.14 43.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.9 m-20 -72.54 -45.59 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.855 HG23 HD11 ' A' ' 89' ' ' LEU . 9.6 p -62.5 -43.88 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -44.2 74.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 60' ' ' THR . 23.6 mt -67.31 -45.69 85.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.517 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.8 t -56.28 -43.31 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.649 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 10.2 t80 -62.7 -33.78 75.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 t -90.01 -4.6 57.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.496 ' CE ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -94.17 -20.98 19.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -96.71 -24.65 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.88 -179.54 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -120.43 147.65 44.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -40.89 -29.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 71' ' ' ALA . 2.9 t -72.27 -69.25 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.0 148.81 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.14 -8.03 11.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.1 m -129.45 173.44 13.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.783 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.7 pt -127.52 155.28 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.07 160.16 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 21.3 t80 -48.21 -22.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.29 -48.15 24.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -81.75 -24.36 36.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.783 ' HB2' HD12 ' A' ' 77' ' ' ILE . 7.4 t80 -72.49 -26.8 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -77.42 -28.2 52.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -67.91 -47.08 69.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.564 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -54.7 -48.35 72.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.599 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 96.7 mt -54.71 -43.77 72.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.598 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 3.6 mt-10 -57.55 -35.05 69.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 63.6 mm-40 -74.5 -32.65 62.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.855 HD11 HG23 ' A' ' 62' ' ' VAL . 47.2 mt -92.02 -2.34 56.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.8 -57.18 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 p -77.68 -19.37 55.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 88' ' ' GLU . 30.6 mtpt -83.79 -26.96 29.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 31.4 tpt85 -93.03 -64.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.953 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 87.1 m-85 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 27.6 tttt -64.06 -45.82 87.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.69 -45.35 29.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.58 -51.53 66.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.88 63.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 31.0 t80 -56.68 -38.76 72.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 108' ' ' GLN . 0.1 OUTLIER -65.08 -21.92 66.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.953 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -86.34 -52.3 5.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.516 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . 5.1 tt -57.74 -40.8 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.797 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.8 m -57.75 -44.69 86.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 108.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 3.0 mm-40 -49.83 -49.97 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.516 ' CD2' ' HA ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -47.14 -45.07 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.729 HG22 ' HB3' ' A' ' 20' ' ' SER . 3.0 mt -85.69 -73.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 107' ' ' CYS . . . -37.12 121.0 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 100.59 -37.15 3.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -78.25 -173.86 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.798 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -156.26 158.12 31.41 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.88 -15.53 1.96 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.127 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 111' ' ' ALA . 60.3 tp -51.99 -70.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -49.74 -26.19 3.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -75.27 -29.92 60.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 52.9 m -83.19 -47.52 11.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ALA . 6.7 t80 -51.89 -51.17 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 2.3 ttm180 -48.78 -48.36 41.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 45.4 mttt -49.42 -42.83 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.795 ' CD1' HD13 ' A' ' 45' ' ' LEU . 45.8 m-85 -82.25 -27.22 32.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -68.69 -47.74 65.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 12.4 pt -93.7 14.63 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 10.9 t-80 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.618 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -115.46 -8.62 12.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.773 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 1.9 mp0 -146.55 153.03 39.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' ILE . 27.8 ttm -138.83 119.73 14.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.484 ' HA ' HG12 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -74.86 143.99 43.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.593 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.54 -37.96 13.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -65.47 -33.33 75.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' ASN . 37.6 m-20 -88.58 -9.16 53.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.818 ' NE1' HG22 ' A' ' 62' ' ' VAL . 3.7 t-105 -95.66 -57.05 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.02 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.84 82.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -60.97 -41.39 96.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.795 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.1 tp -60.01 -30.67 69.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.468 ' O ' HG23 ' A' ' 51' ' ' VAL . 59.9 m -71.59 -59.19 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.75 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -53.83 -48.29 70.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.47 -38.24 77.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HB2' HG23 ' A' ' 51' ' ' VAL . 56.3 m -90.59 12.88 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 46.69 43.27 12.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 46' ' ' CYS . 5.3 t -86.63 -41.26 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.75 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -101.73 78.86 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.98 -30.14 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.815 ' O ' HG22 ' A' ' 58' ' ' THR . . . 115.54 -34.84 4.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -88.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.767 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -55.04 -36.87 66.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.507 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 10.2 t -123.91 131.13 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.815 HG22 ' O ' ' A' ' 54' ' ' GLY . 40.7 p -116.05 140.87 48.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.389 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.497 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.68 -22.78 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -75.91 -31.6 59.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.1 m-20 -71.77 -47.79 51.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.818 HG22 ' NE1' ' A' ' 42' ' ' TRP . 3.9 p -61.57 -38.41 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -42.04 97.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.33 -50.36 46.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.502 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 6.0 t -52.84 -48.07 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.593 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 18.5 t80 -59.7 -31.59 69.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.44 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -95.65 3.55 53.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.04 -34.32 7.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.97 -20.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.44 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 8.3 pttt -101.87 -163.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.87 166.4 17.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -14.91 38.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.06 -76.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.42 145.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 ptt-85 -113.06 -10.53 13.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 38' ' ' ASN . 2.5 m -123.25 168.5 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.548 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.8 pt -120.4 148.58 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' GLU . 1.8 m120 -104.72 159.95 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.8 t80 -47.08 -25.07 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -75.13 -36.63 61.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' ASN . 48.7 mt-10 -90.65 -28.87 18.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.548 ' HB2' HD12 ' A' ' 77' ' ' ILE . 5.6 t80 -69.02 -26.42 64.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -77.37 -28.4 52.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -67.86 -43.63 79.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.502 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -58.3 -48.01 81.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 90.2 mt -55.46 -38.02 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 8.9 mt-10 -63.69 -39.86 95.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.427 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 29.8 mm-40 -71.93 -32.11 67.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.626 HD11 HG23 ' A' ' 62' ' ' VAL . 21.3 mt -91.21 -6.11 53.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -64.29 -54.97 24.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.4 p -78.17 -36.38 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.624 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 26.8 mtpt -68.2 -10.24 52.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 43.3 tpt85 -105.88 -57.99 1.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.568 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 86.3 m-85 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.3 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' NZ ' ' OE2' ' A' ' 87' ' ' GLU . 5.1 tttm -65.29 -42.78 92.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.21 -51.26 12.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -55.29 -52.41 63.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -57.37 -55.63 32.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 67.5 t80 -54.4 -39.04 66.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -31.39 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -76.66 -36.14 57.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.603 ' HA ' HD12 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -80.55 -37.19 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 21.3 m -61.53 -26.25 67.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 108.298 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -76.96 -25.55 52.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 106' ' ' ILE . 49.4 mt -67.0 -19.17 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.1 mt -108.54 -66.4 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . . . -39.15 106.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.2 -40.68 2.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.9 mttt -72.17 170.55 13.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.29 150.99 26.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.43 -16.14 1.86 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.561 HD22 ' SG ' ' A' ' 107' ' ' CYS . 28.3 tp -54.63 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.743 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 3.2 tt0 -48.59 -29.39 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -69.15 -48.62 61.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.451 ' HB2' HG22 ' A' ' 110' ' ' ILE . 54.0 m -66.25 -36.88 84.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -56.96 -53.11 61.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -49.84 -42.26 46.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -49.63 -55.14 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.923 ' CD1' HD13 ' A' ' 45' ' ' LEU . 62.4 m-85 -71.85 -29.42 64.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -66.78 -47.62 71.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' HIS . 4.5 pt -92.15 13.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ILE . 15.1 t-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.442 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -110.79 -1.36 16.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.433 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.7 mt-10 -144.63 152.01 39.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.507 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 30.5 ttm -143.47 129.97 20.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -81.72 143.58 31.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -47.12 -32.59 6.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -37.49 85.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.724 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ASN . 9.1 m-20 -81.96 -28.29 32.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.86 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.2 t-105 -72.06 -58.82 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 107.97 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.33 -48.93 75.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -58.52 -44.13 89.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.923 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.3 tp -57.09 -31.39 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 57.8 m -74.32 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.659 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -54.74 -43.1 72.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 -36.93 85.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.442 ' SG ' HD12 ' A' ' 45' ' ' LEU . 66.0 m -92.66 13.45 20.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.3 mmmm 45.99 46.13 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 3.6 t -89.42 -38.73 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.659 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -103.55 82.9 2.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -62.29 -30.88 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.868 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.19 -30.12 7.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.65 -82.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.806 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.53 -34.53 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.408 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 17.5 t -125.73 118.37 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.868 HG22 ' O ' ' A' ' 54' ' ' GLY . 82.1 p -104.3 140.94 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.447 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -47.61 -22.61 1.84 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.471 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -75.27 -30.48 60.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -75.89 -49.65 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.86 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -58.68 -36.15 58.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.38 -43.72 80.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.471 HD12 ' O ' ' A' ' 60' ' ' THR . 32.4 mt -66.76 -49.94 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.657 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.0 t -52.86 -50.92 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 27.5 t80 -57.52 -29.01 63.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.423 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -87.97 -14.13 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -93.04 -39.72 10.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 65' ' ' VAL . 7.9 m -69.27 -36.1 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.0 pttt -84.1 -171.66 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -110.96 -178.68 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.97 10.33 19.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.64 -49.52 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.96 147.93 45.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.67 -6.6 12.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -129.11 161.2 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.2 pt -115.94 153.75 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLU . 2.0 m-20 -108.91 158.83 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 16.4 t80 -39.35 -42.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -58.05 -49.03 78.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ASN . 43.4 mt-10 -74.0 -41.4 61.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 50.8 t80 -53.24 -49.38 66.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -27.29 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -39.47 92.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.537 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -71.4 -41.87 69.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 20.4 mt -56.97 -38.46 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.57 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 7.2 mt-10 -65.27 -46.06 82.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.487 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 7.6 mm-40 -65.03 -29.68 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.724 HD11 HG23 ' A' ' 62' ' ' VAL . 59.5 mt -95.98 -5.74 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -63.98 -56.13 17.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.6 p -77.01 -38.78 52.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.806 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 16.1 mtpt -64.89 -11.76 41.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 23.4 tpt85 -105.43 -53.92 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.919 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 78.6 m-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HD3' ' CG ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -55.75 -42.65 75.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.45 ' CG ' ' HD3' ' A' ' 99' ' ' LYS . 6.2 mt-10 -75.0 -52.77 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.43 -51.03 68.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.25 -50.96 71.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 69.0 t80 -61.1 -39.7 90.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -21.78 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.919 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -86.26 -39.23 16.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 109' ' ' LEU . 5.5 tt -74.41 -33.93 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.561 ' SG ' HD22 ' A' ' 17' ' ' LEU . 99.2 m -67.16 -36.99 82.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.14 -21.93 64.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 106' ' ' ILE . 56.3 mt -73.04 -24.08 60.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 20' ' ' SER . 5.5 mt -102.0 -64.53 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -38.63 114.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.02 -39.51 2.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.417 1.073 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -75.48 167.04 22.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -150.71 156.84 36.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.126 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.412 ' C ' ' HA ' ' A' ' 111' ' ' ALA . . . 158.69 -27.66 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' SER . 34.6 tp -58.01 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 3.5 tt0 -47.66 -25.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -74.77 -35.48 62.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.593 ' HB2' HG22 ' A' ' 110' ' ' ILE . 49.8 m -80.11 -44.18 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -50.46 -55.79 14.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.464 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -49.88 -47.76 51.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' CD ' ' HG2' ' A' ' 114' ' ' GLU . 34.4 mttm -49.87 -52.51 32.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.747 ' CD1' HD13 ' A' ' 45' ' ' LEU . 35.4 m-85 -73.12 -22.51 60.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -75.02 -47.64 28.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.0 pt -88.06 9.04 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -106.05 -13.32 15.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 110.292 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.12 148.93 51.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.8 ttm -139.63 118.69 12.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.509 ' HA ' HG12 ' A' ' 76' ' ' VAL . 1.8 m120 -73.79 143.8 45.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.543 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . -49.56 -37.32 26.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -38.94 88.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -79.5 -34.29 41.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.869 ' NE1' HG22 ' A' ' 62' ' ' VAL . 2.9 t-105 -65.83 -52.53 49.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 46' ' ' CYS . . . -61.59 -58.01 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -50.08 -25.21 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.747 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.8 tp -78.93 -30.52 44.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -74.62 -11.41 60.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.277 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.55 -50.02 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.461 ' OD2' ' HA ' ' A' ' 115' ' ' PRO . 13.7 t0 -57.71 -34.67 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.408 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 37.1 m -94.55 11.2 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 45.62 43.09 8.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.3 t -82.52 -41.03 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.495 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . . . -92.42 81.88 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -52.32 -37.32 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.577 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.58 -30.71 7.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -81.12 -76.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.851 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.82 -42.9 97.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -115.63 124.1 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 54' ' ' GLY . 18.8 p -109.98 141.77 42.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -48.65 -21.41 2.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.515 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.2 m -78.89 -27.78 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.2 m-20 -77.28 -46.92 21.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.869 HG22 ' NE1' ' A' ' 42' ' ' TRP . 5.1 p -58.36 -36.54 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -47.95 75.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 60' ' ' THR . 17.3 mt -63.58 -48.06 88.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -56.73 -46.02 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CE1' ' HA2' ' A' ' 39' ' ' GLY . 48.9 t80 -59.8 -32.45 70.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.23 -7.2 54.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -93.03 -21.57 19.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.082 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 65' ' ' VAL . 15.4 m -90.64 -32.29 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 66' ' ' PHE . 4.2 pttt -95.59 -165.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.47 172.27 9.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -67.76 -10.8 55.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t -93.73 -68.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.57 155.05 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -127.95 3.67 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 38' ' ' ASN . 3.7 m -140.83 164.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 82' ' ' PHE . 25.5 pt -125.0 151.19 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -103.45 160.27 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 21.2 t80 -40.4 -29.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 78' ' ' ASN . 2.4 mt-10 -72.29 -48.82 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' ASN . 98.7 mt-10 -78.18 -14.77 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.253 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.756 ' CE2' HD11 ' A' ' 86' ' ' LEU . 32.8 t80 -82.69 -33.04 27.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -71.74 -29.38 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -62.14 -59.31 5.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -47.8 -48.73 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.756 HD11 ' CE2' ' A' ' 82' ' ' PHE . 96.1 mt -53.61 -40.94 66.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.1 mm-40 -63.15 -36.61 84.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -76.16 -25.08 54.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.684 HD11 HG23 ' A' ' 62' ' ' VAL . 69.3 mt -98.9 -3.35 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -68.59 -57.56 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.8 p -77.39 -35.33 54.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.363 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.851 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 15.3 mtpt -67.69 -10.73 55.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 28.6 tpt85 -106.87 -58.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -68.98 -48.72 62.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.59 -47.91 29.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.57 -52.08 64.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -59.77 -54.51 45.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.602 ' CE2' ' SG ' ' A' ' 107' ' ' CYS . 73.9 t80 -54.94 -41.67 71.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -25.66 67.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.28 -35.08 28.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -80.14 -32.94 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.602 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 11.0 m -65.0 -23.36 67.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -78.35 -26.45 46.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 106' ' ' ILE . 64.2 mt -68.68 -34.14 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.593 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.5 mt -95.08 -58.37 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -44.75 105.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.2 -42.41 1.94 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.68 147.35 50.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.4 ' HG2' ' CD ' ' A' ' 23' ' ' LYS . 39.0 mt-10 -129.62 153.33 80.72 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.486 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.42 -22.53 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.92 HD22 ' SG ' ' A' ' 107' ' ' CYS . 58.0 tp -52.03 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 19.8 tt0 -46.96 -34.17 5.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.51 -50.87 70.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.609 ' OG ' HG22 ' A' ' 110' ' ' ILE . 2.7 p -63.68 -48.48 77.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' ALA . 18.4 t80 -49.78 -54.16 20.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -49.09 -47.01 45.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -52.95 -54.62 32.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.928 ' CD1' HD13 ' A' ' 45' ' ' LEU . 42.7 m-85 -68.76 -22.9 64.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -76.74 -47.68 21.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 34' ' ' GLY . 7.0 pt -91.0 26.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 115' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.592 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.415 ' N ' ' CG2' ' A' ' 26' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -114.52 -14.49 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -133.59 145.22 49.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.43 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 30.4 ttm -135.64 118.7 16.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.98 144.13 47.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.697 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -56.55 -16.13 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -76.66 -41.64 44.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -82.59 -33.13 28.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.806 ' NE1' HG22 ' A' ' 62' ' ' VAL . 3.8 t-105 -58.96 -58.36 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.8 -52.11 61.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -54.93 -35.82 64.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.928 HD13 ' CD1' ' A' ' 24' ' ' PHE . 12.0 tp -69.53 -27.76 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.509 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 84.4 m -92.17 11.24 26.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.606 ' HE3' ' HB3' ' A' ' 52' ' ' ALA . 8.1 mptt -118.58 -55.67 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -40.67 94.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.611 ' SG ' HD12 ' A' ' 45' ' ' LEU . 99.8 m -74.8 -4.24 36.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 49.5 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.581 HG13 HG13 ' A' ' 106' ' ' ILE . 2.1 t -94.95 -36.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HE3' ' A' ' 47' ' ' LYS . . . -100.26 86.85 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 93' ' ' ARG . 20.9 p-10 -56.54 -38.39 71.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.615 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.28 -27.86 9.15 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -80.24 -75.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -68.26 -41.74 80.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 t -112.47 118.19 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 54' ' ' GLY . 16.0 p -109.31 142.12 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.23 -22.75 1.0 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.484 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.2 m -74.26 -31.68 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -75.24 -50.88 14.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.853 HG23 HD11 ' A' ' 89' ' ' LEU . 4.2 p -57.7 -36.65 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -44.62 91.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.484 HD12 ' O ' ' A' ' 60' ' ' THR . 22.7 mt -68.85 -46.0 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.758 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.3 t -55.67 -50.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.697 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 7.2 t80 -59.48 -31.27 69.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -86.92 -15.85 37.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -88.1 -40.94 13.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 65' ' ' VAL . 6.1 m -67.43 -39.94 83.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HB3' HG22 ' A' ' 77' ' ' ILE . 4.0 pttt -80.54 -173.32 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -111.83 166.41 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -13.74 53.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.85 -69.07 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.45 149.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.03 -24.55 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.8 m -112.16 -178.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.765 HD12 ' HB2' ' A' ' 82' ' ' PHE . 2.3 pt -132.44 148.37 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.34 160.34 14.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.3 t80 -50.67 -25.34 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.53 -28.76 56.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -97.41 -25.34 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.765 ' HB2' HD12 ' A' ' 77' ' ' ILE . 2.3 t80 -73.62 -38.97 64.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 9.0 ptpt -63.09 -32.72 74.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -61.0 -56.9 15.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.569 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -41.83 -44.61 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.567 ' HB3' HG21 ' A' ' 106' ' ' ILE . 92.6 mt -52.73 -54.63 31.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -35.64 51.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -74.54 -30.51 61.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.853 HD11 HG23 ' A' ' 62' ' ' VAL . 52.3 mt -98.97 4.42 47.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.558 ' HB1' ' HB1' ' A' ' 102' ' ' ALA . . . -82.16 -57.71 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.1 p -77.42 -20.42 54.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.853 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 20.8 mtpt -83.25 -19.9 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 17.6 tpt85 -102.02 -65.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.948 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 80.5 m-85 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 101' ' ' GLU . 58.0 p . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 7.2 tttt -53.43 -41.15 65.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.55 -48.63 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 31.6 mt-10 -55.2 -52.02 64.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.558 ' HB1' ' HB1' ' A' ' 90' ' ' ALA . . . -55.02 -54.34 44.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.462 ' CE2' ' O ' ' A' ' 83' ' ' LYS . 3.1 t80 -61.09 -36.44 79.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.53 -24.78 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.948 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -82.82 -50.5 8.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.581 HG13 HG13 ' A' ' 51' ' ' VAL . 3.7 tt -58.77 -29.63 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . 0.92 ' SG ' HD22 ' A' ' 17' ' ' LEU . 6.4 m -66.81 -29.02 68.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 105' ' ' ALA . 4.0 mt-30 -67.32 -39.68 85.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -59.97 -45.26 93.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ILE . . . . . 0.827 HG23 HD11 ' A' ' 45' ' ' LEU . 3.4 mt -90.09 -78.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.776 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -35.97 120.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.38 -34.36 5.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -81.7 175.08 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 0.714 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -153.67 150.75 23.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . 0.576 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.508 1.793 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.2 p -91.68 -58.11 2.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 0.749 . . . . 0.0 110.055 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t 61.81 138.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -41.92 146.85 0.57 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.8 p -120.3 101.65 7.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 0.759 . . . . 0.0 109.994 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.8 t 61.73 145.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.99 102.2 0.15 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.578 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -179.71 152.61 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.745 . . . . 0.0 110.985 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 8' ' ' MET . . . 171.35 159.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.2 160.9 31.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.3 m -161.99 113.58 1.68 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -111.07 -40.42 4.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -86.91 157.22 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.431 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 38.9 mm -55.48 -65.98 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 63.4 71.41 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.61 -27.38 0.24 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.454 HD22 ' SG ' ' A' ' 107' ' ' CYS . 67.6 tp -55.85 -73.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.544 ' HG3' ' CE1' ' A' ' 79' ' ' TYR . 7.5 tt0 -48.17 -28.15 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -68.08 -40.51 82.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.544 ' HB2' HG22 ' A' ' 110' ' ' ILE . 17.4 m -75.46 -44.97 41.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.032 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -50.03 -53.65 25.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.03 -45.99 52.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 92.3 mttt -53.81 -56.21 19.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.983 ' CD1' HD13 ' A' ' 45' ' ' LEU . 38.5 m-85 -65.87 -31.55 72.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -65.36 -47.91 74.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.416 HG22 ' HB1' ' A' ' 32' ' ' ALA . 6.5 pt -92.0 14.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.492 ' CD2' ' HE2' ' A' ' 44' ' ' LYS . 5.7 t-80 -40.8 112.66 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.598 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 70.68 -61.72 0.9 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.438 1.086 . . . . 0.0 110.974 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.01 105.85 0.45 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -23.87 13.32 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.67 -40.37 56.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.416 ' HB1' HG22 ' A' ' 26' ' ' ILE . . . -46.26 132.87 9.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.73 -17.23 21.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.88 30.23 6.87 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -105.1 -26.65 12.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 110.273 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' OE1' HG23 ' A' ' 76' ' ' VAL . 6.7 mm-40 -125.33 157.83 35.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 ttm -138.88 122.06 16.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.499 ' HA ' HG12 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -73.08 143.41 47.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.673 ' CA ' ' CE1' ' A' ' 66' ' ' PHE . . . -55.45 -27.44 47.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -68.78 -37.5 79.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -83.48 -39.31 20.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.849 ' NE1' HG22 ' A' ' 62' ' ' VAL . 1.7 t-105 -54.34 -58.67 6.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 107.988 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.7 -49.02 66.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HE2' ' CD2' ' A' ' 27' ' ' HIS . 16.4 tttt -55.3 -47.77 75.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.983 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.6 tp -57.1 -29.28 63.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' ALA . 75.6 m -87.49 9.73 20.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 108.311 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.731 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -114.91 -55.29 2.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -61.45 -35.16 76.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.406 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 68.0 m -83.15 4.22 27.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.78 48.18 23.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.246 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.502 HG12 HD11 ' A' ' 106' ' ' ILE . 1.9 t -92.89 -33.91 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.731 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -102.03 80.22 1.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -52.21 -37.16 54.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.706 ' O ' HG22 ' A' ' 58' ' ' THR . . . 112.57 -30.57 7.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.18 -78.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.846 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -67.89 -40.42 83.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.405 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 23.0 t -113.88 121.85 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.706 HG22 ' O ' ' A' ' 54' ' ' GLY . 18.5 p -112.47 141.49 46.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.42 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.515 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -43.63 -25.04 0.49 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.559 1.162 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.415 ' N ' ' C ' ' A' ' 58' ' ' THR . 2.2 m -76.81 -39.76 50.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.37 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.49 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -64.26 -46.81 82.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.882 HG23 HD11 ' A' ' 89' ' ' LEU . 4.4 p -63.04 -36.97 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -62.32 -40.25 95.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.7 mt -69.98 -51.35 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.675 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.5 t -53.0 -44.62 50.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.673 ' CE1' ' CA ' ' A' ' 39' ' ' GLY . 35.9 t80 -59.17 -35.29 73.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.428 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -90.08 -1.82 58.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.013 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -23.33 15.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.675 HG13 ' O ' ' A' ' 65' ' ' VAL . 8.8 m -88.79 -44.95 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.816 ' HB3' HG22 ' A' ' 77' ' ' ILE . 5.1 pttt -75.59 -164.67 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -123.19 153.29 40.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.12 -20.96 4.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.9 t -85.51 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.005 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.47 151.95 2.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -113.7 -16.64 12.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.499 HG12 ' HA ' ' A' ' 38' ' ' ASN . 0.8 OUTLIER -116.98 175.59 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.816 HG22 ' HB3' ' A' ' 70' ' ' LYS . 10.3 pt -126.76 156.67 37.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -109.55 158.79 17.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.544 ' CE1' ' HG3' ' A' ' 18' ' ' GLU . 10.6 t80 -40.84 -49.1 3.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -50.87 -48.49 60.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 35.3 mt-10 -72.43 -41.88 65.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.521 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 56.7 t80 -51.83 -50.95 59.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.087 . . . . 0.0 110.97 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -62.0 -28.54 69.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -64.64 -45.42 86.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.51 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.45 -43.29 97.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 46.5 mt -56.56 -39.12 72.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.57 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 3.8 mm-40 -63.79 -38.65 91.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -73.63 -29.38 62.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.882 HD11 HG23 ' A' ' 62' ' ' VAL . 40.3 mt -97.9 1.97 48.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -79.05 -55.33 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.6 p -77.29 -20.93 54.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.846 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 13.0 mtpt -83.44 -30.24 27.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 20.4 tpt85 -80.56 -65.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 110.265 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.929 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 72.0 m-85 -73.2 172.81 10.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.94 -135.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.99 45.88 1.53 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.423 ' HG3' ' HG2' ' A' ' 95' ' ' LYS . 2.1 mttp -69.37 179.51 2.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.221 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.7 m -81.0 157.71 25.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.98 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.12 -42.01 65.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.24 -51.05 11.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -55.46 -53.17 59.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.57 77.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.606 ' O ' HG22 ' A' ' 106' ' ' ILE . 69.7 t80 -60.65 -41.17 94.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -72.56 -26.69 61.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.929 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -72.19 -42.26 66.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.631 ' HA ' HD12 ' A' ' 109' ' ' LEU . 9.9 tt -71.22 -28.05 31.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.147 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.454 ' SG ' HD22 ' A' ' 17' ' ' LEU . 94.7 m -72.55 -33.3 66.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 108.288 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -66.35 -12.45 56.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.631 HD12 ' HA ' ' A' ' 106' ' ' ILE . 22.5 mt -88.22 -34.36 17.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.8 mt -92.42 -65.47 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.431 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -40.31 111.54 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.02 -42.46 1.94 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.0 OUTLIER -71.25 149.13 46.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.412 ' HG2' ' NZ ' ' A' ' 23' ' ' LYS . 4.8 mt-10 -121.41 158.5 53.36 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.2 Cg_endo -74.96 1.04 8.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.449 1.763 . . . . 0.0 111.009 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -43.65 161.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.46 -56.01 26.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.3 mt 61.34 118.52 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.18 82.58 0.03 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.562 1.164 . . . . 0.0 110.975 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.0 p -148.8 136.67 14.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.561 0.801 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.4 m -101.73 126.85 48.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 123' ' ' ALA . 0.0 OUTLIER -175.02 123.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 109.279 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 122' ' ' LYS . . . 176.97 -179.35 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -168.39 113.52 0.63 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.4 p -54.12 139.49 35.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.371 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -156.91 142.94 9.1 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.55 1.156 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -130.65 -158.74 9.4 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -147.59 161.96 40.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 83.0 t -110.59 130.95 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -109.3 161.85 14.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.49 177.48 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.1 tp 173.29 108.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 18.4 m -55.21 129.78 39.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.457 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -117.73 97.91 6.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 4.2 t -54.34 -47.63 72.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.368 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.1 m 52.37 101.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -99.43 137.64 37.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.403 ' CD1' ' O ' ' A' ' 138' ' ' TYR . 48.7 p90 -134.68 132.99 39.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 75.2 p -123.27 167.12 14.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.404 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -131.39 -71.49 0.1 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.946 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 20.9 p -100.5 110.24 22.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 0.752 . . . . 0.0 109.99 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -168.43 170.0 10.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.625 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.45 68.64 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.27 -59.21 2.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.341 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.11 150.27 43.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 9.4 t -121.33 154.87 35.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -173.11 155.69 23.18 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 111.012 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 13.1 p -171.77 -56.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.26 121.58 11.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.507 1.129 . . . . 0.0 111.047 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.0 m -77.19 85.02 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 110.017 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 p -175.61 109.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.011 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.83 -123.61 1.92 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.1 p -81.02 114.56 19.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.3 164.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.981 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.86 122.08 0.95 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.26 170.4 19.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.764 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.58 159.96 19.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.17 177.75 5.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.26 136.56 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.023 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.8 t -46.03 -42.63 13.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -96.86 176.21 6.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.581 HG22 ' H ' ' A' ' 15' ' ' ALA . 1.2 mm -104.55 -151.71 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.581 ' H ' HG22 ' A' ' 14' ' ' ILE . . . 176.0 73.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 148.42 -18.38 1.32 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.647 HD22 ' SG ' ' A' ' 107' ' ' CYS . 43.4 tp -52.48 -72.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.435 0.727 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.565 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -47.94 -25.07 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.284 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -77.61 -35.63 52.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.574 ' HB2' HG22 ' A' ' 110' ' ' ILE . 30.0 m -78.51 -42.38 29.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.974 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CE1' ' CG ' ' A' ' 82' ' ' PHE . 27.9 t80 -56.9 -51.01 70.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 111.03 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.1 -45.11 42.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -49.82 -56.23 11.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.959 ' CD1' HD13 ' A' ' 45' ' ' LEU . 50.1 m-85 -65.72 -32.37 73.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -62.4 -47.51 83.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.46 HG23 ' HA2' ' A' ' 34' ' ' GLY . 14.8 pt -91.37 13.13 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -39.01 119.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.582 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 40.28 64.83 1.06 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.15 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -167.8 105.55 0.58 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -22.1 15.21 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.551 1.816 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' ALA . 2.7 mmtp -76.53 -49.18 17.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.156 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -39.53 126.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.1 m -79.26 -29.35 42.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.999 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . 102.57 26.12 7.38 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -114.24 -13.53 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.331 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -128.4 153.86 46.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.558 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 36.0 ttm -138.57 134.41 33.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -83.79 143.22 30.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.598 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -49.72 -21.75 3.68 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.3 mttt -76.42 -40.78 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 0.734 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -80.85 -21.16 40.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.81 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.1 t-105 -75.4 -56.04 5.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 108.001 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.81 -49.05 76.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.7 tttt -57.05 -47.51 80.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.959 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.5 tp -57.17 -30.57 64.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.498 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 74.1 m -84.6 5.19 28.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.695 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -113.13 -47.54 3.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -66.59 -35.72 80.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.353 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.41 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 91.0 m -87.04 8.33 23.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.273 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 48.88 51.09 16.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.515 HG12 HD11 ' A' ' 106' ' ' ILE . 1.8 t -94.82 -31.75 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.695 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -105.96 75.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -48.95 -35.53 15.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.72 ' O ' HG22 ' A' ' 58' ' ' THR . . . 111.5 -31.59 7.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.479 1.112 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -77.58 -76.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.554 0.796 . . . . 0.0 109.276 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.864 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.27 -42.08 88.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 t -113.23 120.86 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.72 HG22 ' O ' ' A' ' 54' ' ' GLY . 36.7 p -111.96 141.56 45.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.382 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.569 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -44.86 -24.02 0.68 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.496 1.123 . . . . 0.0 111.02 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.666 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -70.61 -34.94 72.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 0.775 . . . . 0.0 110.391 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -75.7 -52.13 11.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.81 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.2 p -58.89 -35.85 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -67.97 -48.74 65.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.349 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 60' ' ' THR . 23.4 mt -64.65 -48.74 83.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.8 t -52.54 -47.82 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.598 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 31.8 t80 -57.24 -31.56 65.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.62 -8.37 54.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.95 -9.94 27.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 65' ' ' VAL . 16.2 m -105.71 -24.89 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HB3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -100.97 -168.11 1.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.283 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -128.87 153.29 47.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.89 -20.52 6.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -84.96 -55.6 3.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.981 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.38 156.25 23.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -128.04 4.01 5.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 110.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.14 160.47 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.502 HD12 ' HA ' ' A' ' 82' ' ' PHE . 22.4 pt -118.14 152.16 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -103.13 159.31 15.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.565 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 13.1 t80 -41.84 -28.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -74.94 -49.06 21.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 81' ' ' GLU . 3.1 mp0 -76.77 -15.32 59.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.517 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 17.2 t80 -82.03 -36.07 28.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -73.48 -27.26 61.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -63.24 -46.67 85.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.52 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -61.37 -44.61 96.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.517 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 63.4 mt -53.88 -42.43 68.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.59 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 2.9 mt-10 -60.45 -43.44 96.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 15.1 mm-40 -69.02 -26.54 65.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.706 ' CD1' HG23 ' A' ' 62' ' ' VAL . 38.3 mt -99.62 1.86 44.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.53 -54.47 6.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.9 p -77.02 -21.33 54.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.374 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.864 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 12.1 mtpt -84.03 -28.16 27.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 27.5 tpt85 -82.67 -64.46 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.316 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.949 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 72.1 m-85 -79.31 175.95 10.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.19 -148.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -85.97 25.01 7.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 96' ' ' GLY . 10.4 mttt -49.03 177.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.1 m -81.43 153.86 26.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.016 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -48.78 -47.23 42.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -70.27 -50.16 42.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -55.44 -51.71 66.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.54 -40.38 78.68 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 38.1 t80 -67.08 -40.32 86.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.0 -22.38 60.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.949 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -80.61 -42.32 22.42 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.719 ' HA ' HD12 ' A' ' 109' ' ' LEU . 10.2 tt -75.51 -33.18 26.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.647 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.1 m -68.18 -31.19 70.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 108.348 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -74.44 -14.86 60.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 106' ' ' ILE . 71.6 mt -78.55 -26.04 45.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.574 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.5 mt -98.51 -62.98 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 110' ' ' ILE . . . -39.38 115.82 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 105.72 -42.01 2.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.3 mttt -73.08 165.89 24.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 0.767 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -152.08 156.8 34.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.256 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.549 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.03 -158.51 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.515 1.797 . . . . 0.0 110.959 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 115' ' ' PRO . . . 73.41 -176.69 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -111.73 79.57 1.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.7 mp 60.69 117.55 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -134.62 -113.96 1.4 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.507 1.13 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 120' ' ' VAL . 29.3 m -108.22 95.78 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.534 0.784 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.7 p -106.69 147.7 29.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -175.52 156.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -159.48 160.77 35.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.2 155.28 34.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 51.6 m -110.81 157.17 20.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -85.08 -162.47 35.64 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -84.7 -152.36 16.22 Favored Glycine 0 CA--C 1.53 0.982 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -152.82 172.96 15.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.337 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 3.8 m -123.74 140.07 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -110.66 151.91 27.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -165.57 162.8 19.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.249 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -178.51 150.67 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 4.7 t -149.03 143.66 26.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -148.02 141.93 25.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.3 m -154.39 95.72 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.424 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 7.4 t -130.56 137.27 49.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.963 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.33 164.25 30.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -133.8 167.2 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 11.6 t -124.75 163.0 23.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.396 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -92.11 -156.55 32.85 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.2 168.97 17.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 0.0 109.971 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -142.32 174.74 10.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 109.612 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.81 154.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 177.27 -57.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -38.85 130.72 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 92.8 p -174.99 111.71 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.026 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -169.33 101.68 0.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -179.24 4.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.457 1.767 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.84 157.53 16.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.963 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 11.2 t -117.65 154.1 32.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.162 . . . . 0.0 109.997 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 t -128.36 -58.24 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 109.982 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 p -88.23 90.91 8.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.4 -103.79 1.21 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.431 1.082 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -73.29 80.89 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 109.973 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.18 82.44 1.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 110.008 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.19 -85.09 0.87 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 50.62 99.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 0.76 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -106.8 88.22 2.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.67 166.71 23.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.83 110.36 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.97 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 13' ' ' ASP . 6.9 t -128.46 -49.26 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.396 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.427 ' N ' HG23 ' A' ' 12' ' ' THR . 29.0 t70 -104.98 170.47 7.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.501 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 26.4 mm -46.05 -71.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 69.77 71.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 161.9 -26.43 0.25 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.555 HD22 ' SG ' ' A' ' 107' ' ' CYS . 50.2 tp -57.88 -81.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 0.742 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 6.5 tt0 -47.18 -25.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -74.01 -39.15 63.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.897 ' OG ' HG22 ' A' ' 110' ' ' ILE . 10.5 p -78.11 -45.19 24.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.986 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -50.46 -52.24 39.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -49.78 -48.22 50.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 20' ' ' SER . 74.3 mttt -49.23 -50.54 38.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.017 ' CD2' HD13 ' A' ' 45' ' ' LEU . 41.7 m-85 -69.99 -31.37 69.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.523 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -66.67 -47.64 71.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . 1.6 pt -92.15 13.34 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 26' ' ' ILE . 31.8 t-80 -39.06 103.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.95 -57.47 1.8 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.459 ' CG ' ' HB2' ' A' ' 32' ' ' ALA . 62.8 t0 -41.46 106.03 0.42 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 0.752 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -28.33 9.31 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.524 1.802 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.84 -28.93 61.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.168 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 26' ' ' ILE . . . -54.71 125.89 21.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.5 p -91.56 -10.39 40.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 109.964 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.31 35.26 9.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -114.81 -14.99 11.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 0.791 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.551 ' OE1' HG23 ' A' ' 76' ' ' VAL . 8.3 mm-40 -136.29 158.19 45.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.2 ttm -138.31 121.08 16.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.3 m-20 -76.41 143.15 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.537 ' CA ' ' CE1' ' A' ' 66' ' ' PHE . . . -46.92 -29.29 4.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -38.65 78.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.752 . . . . 0.0 109.295 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' ASN . 73.4 m-20 -81.42 -29.55 33.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.81 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.0 t-105 -69.99 -67.11 0.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 107.994 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.03 -47.74 8.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.0 tttp -58.4 -49.06 78.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.017 HD13 ' CD2' ' A' ' 24' ' ' PHE . 13.5 tp -59.04 -27.59 65.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.606 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 57.5 m -92.18 23.16 3.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.349 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 tmtt? -134.69 -54.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.143 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -61.44 -38.56 87.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 39.8 m -76.31 -3.29 35.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 108.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.16 39.6 3.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.152 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.7 t -87.2 -37.45 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -101.29 84.64 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 93' ' ' ARG . 54.5 t0 -59.24 -35.36 73.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.651 ' O ' HG22 ' A' ' 58' ' ' THR . . . 112.14 -28.28 9.39 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -81.53 -75.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 0.739 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.849 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.33 -41.17 90.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 t -116.3 120.11 63.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 54' ' ' GLY . 29.3 p -108.28 141.37 40.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.95 -24.38 0.76 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 m -76.96 -36.61 56.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 0.774 . . . . 0.0 110.381 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -68.26 -47.01 68.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.586 1.178 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.941 HG23 HD11 ' A' ' 89' ' ' LEU . 5.0 p -62.85 -41.08 91.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -41.18 83.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.4 mt -70.55 -47.93 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.535 HG22 ' HE3' ' A' ' 68' ' ' LYS . 5.1 t -54.35 -47.73 69.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.537 ' CE1' ' CA ' ' A' ' 39' ' ' GLY . 44.2 t80 -57.96 -34.98 70.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.33 -2.07 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.535 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -99.55 -21.36 15.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.438 HG13 ' O ' ' A' ' 65' ' ' VAL . 22.2 m -93.36 -28.13 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.743 ' HB3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -101.0 177.38 4.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.67 151.82 23.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.15 -23.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.9 t -82.56 -66.46 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.996 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.3 143.22 6.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -114.04 6.43 16.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.551 HG23 ' OE1' ' A' ' 36' ' ' GLU . 3.7 m -139.96 170.11 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.743 HG22 ' HB3' ' A' ' 70' ' ' LYS . 23.3 pt -127.55 155.46 38.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.449 ' O ' ' N ' ' A' ' 81' ' ' GLU . 19.0 p-10 -110.18 155.69 21.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 18' ' ' GLU . 16.8 t80 -41.33 -32.9 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.52 -45.77 82.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 78' ' ' ASN . 41.4 mt-10 -79.14 -38.92 34.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.641 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 15.1 t80 -57.37 -34.93 69.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.08 -30.03 67.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -66.93 -41.49 86.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.504 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -64.41 -43.95 92.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.641 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 45.5 mt -57.01 -36.98 71.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.572 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 4.3 mt-10 -64.96 -39.37 93.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.337 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -72.03 -25.44 61.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.423 1.077 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.941 HD11 HG23 ' A' ' 62' ' ' VAL . 63.2 mt -99.46 -5.42 29.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -66.52 -59.37 3.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 95' ' ' LYS . 19.5 p -77.47 -38.37 49.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 110.399 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.849 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 13.5 mtpt -62.44 -13.49 30.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 24.1 tpt85 -108.68 -55.51 2.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.919 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 70.3 m-85 -87.95 90.98 8.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 27.04 -117.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -133.41 34.67 2.39 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 96' ' ' GLY . 20.3 mttt -53.76 -171.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.342 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 m -82.16 160.5 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 26.1 tttt -56.46 -44.11 80.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -73.35 -52.95 12.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -55.59 -51.56 66.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -54.86 -57.14 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.572 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 40.0 t80 -55.23 -41.91 72.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -21.73 66.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.919 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -84.11 -45.81 12.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 109' ' ' LEU . 5.2 tt -68.2 -29.04 43.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.555 ' SG ' HD22 ' A' ' 17' ' ' LEU . 12.6 m -72.05 -24.22 61.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 108.297 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -79.83 -15.06 58.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 106' ' ' ILE . 52.9 mt -84.56 -31.0 24.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.897 HG22 ' OG ' ' A' ' 20' ' ' SER . 5.9 mt -97.15 -62.0 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -43.82 112.33 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.0 -37.54 3.77 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 110' ' ' ILE . 3.4 mttm -76.03 169.21 18.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.426 ' HG2' HG21 ' A' ' 120' ' ' VAL . 18.2 pm0 -151.86 156.73 34.4 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.338 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.555 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -74.98 -158.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.51 1.795 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 117' ' ' ASN . . . -41.69 131.42 3.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.796 ' O ' HG13 ' A' ' 120' ' ' VAL . 5.2 t30 171.33 91.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.601 HG22 ' O ' ' A' ' 118' ' ' ILE . 30.9 mm 52.66 50.97 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 118' ' ' ILE . . . 37.5 91.56 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.796 HG13 ' O ' ' A' ' 117' ' ' ASN . 14.9 m -112.28 108.1 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 0.788 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 9.2 t -171.08 124.48 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.366 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.4 56.63 1.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -145.23 164.31 31.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.0 110.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 38.1 p -109.49 170.91 7.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.86 101.25 0.39 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -79.4 -152.64 7.18 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -155.65 115.45 3.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.435 0.727 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 16.1 m -104.2 131.66 52.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -80.13 140.83 36.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.18 172.32 13.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.418 HD23 ' H ' ' A' ' 133' ' ' THR . 0.2 OUTLIER 173.41 159.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.418 ' H ' HD23 ' A' ' 132' ' ' LEU . 16.4 m -152.63 138.59 18.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.377 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.39 160.37 32.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 99.6 m -117.16 87.29 2.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.43 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.15 -54.93 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 mtpm? 62.15 172.26 0.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.84 135.62 36.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.8 m -115.0 -60.4 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.412 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 176.53 152.57 9.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 84.0 p -119.96 146.85 45.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 0.795 . . . . 0.0 109.988 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -95.5 119.86 34.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.628 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -124.28 142.21 51.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -141.5 140.23 33.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -139.75 134.28 31.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 110.323 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 36.6 t -79.0 147.22 32.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -121.47 83.34 0.36 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 110.97 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 165.86 30.38 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 15.3 t -131.12 132.28 44.71 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.499 1.125 . . . . 0.0 110.006 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.53 -58.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.988 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 110.994 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -116.6 164.46 14.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 109.946 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -113.81 99.61 7.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.98 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.08 163.36 34.18 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.57 104.02 10.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.61 126.23 3.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.8 91.35 0.18 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.502 1.127 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.8 tpp -110.13 133.65 53.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 111.016 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -173.94 104.53 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 63.13 128.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.8 m -103.9 119.59 39.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.416 HG23 ' N ' ' A' ' 13' ' ' ASP . 5.6 t -170.24 -49.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 12' ' ' THR . 31.3 t70 -137.2 170.15 16.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.454 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 18.3 mm -60.07 -67.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 65.62 70.85 0.44 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.9 -27.38 0.23 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.679 HD22 ' SG ' ' A' ' 107' ' ' CYS . 60.1 tp -54.36 -75.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -46.91 -26.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -73.46 -38.72 65.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.707 ' OG ' HG22 ' A' ' 110' ' ' ILE . 9.7 p -76.1 -45.9 31.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' CD1' ' CG ' ' A' ' 82' ' ' PHE . 19.8 t80 -51.88 -50.9 60.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -53.13 -48.42 67.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.263 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 14.9 mttm -50.06 -42.88 50.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.942 ' CD2' HD13 ' A' ' 45' ' ' LEU . 29.8 m-85 -82.53 -22.92 34.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.45 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -73.02 -47.71 42.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 20.5 pt -91.83 16.27 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 t-80 -53.31 119.43 4.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 49.36 65.49 2.73 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 178.04 106.78 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.447 0.733 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -20.22 17.02 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -68.83 -56.59 7.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -39.01 130.21 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.7 m -104.33 7.99 35.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 81.09 32.17 32.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -113.75 -15.37 12.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.281 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 0.8 OUTLIER -136.37 154.13 50.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 19.2 ttm -139.74 117.41 11.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.609 ' ND2' HG12 ' A' ' 76' ' ' VAL . 1.8 m120 -72.94 143.37 47.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.624 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.72 -39.23 23.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -61.55 -27.6 68.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -92.18 -32.3 15.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.755 ' HE1' HG22 ' A' ' 62' ' ' VAL . 2.2 t-105 -70.41 -66.2 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -47.3 -51.98 17.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -54.14 -36.66 63.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.942 HD13 ' CD2' ' A' ' 24' ' ' PHE . 11.6 tp -71.03 -27.15 63.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.485 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 58.7 m -92.97 24.89 3.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 108.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.42 -63.13 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.336 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.24 -39.06 78.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.422 ' SG ' HD12 ' A' ' 45' ' ' LEU . 60.0 m -71.63 -6.36 40.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt 67.37 42.11 2.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.256 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.4 t -92.8 -32.42 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -109.98 83.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.353 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -61.96 -32.01 72.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.246 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.971 ' O ' HG22 ' A' ' 58' ' ' THR . . . 114.46 -31.77 6.23 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.433 1.083 . . . . 0.0 110.967 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.61 -83.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 0.793 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.732 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -55.15 -41.94 72.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 t -120.45 118.7 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.971 HG22 ' O ' ' A' ' 54' ' ' GLY . 81.5 p -108.62 141.92 39.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.514 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -44.8 -23.97 0.66 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.577 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.2 m -72.84 -34.45 66.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 0.757 . . . . 0.0 110.359 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -75.09 -50.44 16.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.898 HG23 HD11 ' A' ' 89' ' ' LEU . 4.3 p -60.04 -36.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -65.11 -42.69 93.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.577 HD12 ' O ' ' A' ' 60' ' ' THR . 23.9 mt -70.04 -46.46 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.687 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -54.67 -51.32 52.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.624 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 6.7 t80 -60.08 -31.12 69.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.7 OUTLIER -88.44 -9.07 53.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 110.008 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -95.66 -43.04 8.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.687 HG13 ' O ' ' A' ' 65' ' ' VAL . 6.4 m -66.94 -33.01 60.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 5.5 pttp -86.9 -173.29 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -114.09 165.43 12.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.93 -13.51 57.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.9 -64.95 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.018 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.04 148.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -111.86 -18.36 12.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.265 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.609 HG12 ' ND2' ' A' ' 38' ' ' ASN . 8.8 m -116.35 -176.88 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.353 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.423 HG22 ' HB3' ' A' ' 70' ' ' LYS . 2.9 pt -130.65 149.06 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.237 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.19 160.02 14.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.494 ' CZ ' ' HD3' ' A' ' 83' ' ' LYS . 16.0 t80 -43.91 -58.48 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.566 1.166 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -48.66 -34.7 12.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -82.46 -31.85 29.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 43.7 t80 -63.68 -32.78 74.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 110.993 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.494 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 4.0 mtmt -77.34 -26.25 51.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -43.72 89.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.591 1.182 . . . . 0.0 109.277 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.558 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -67.59 -42.68 82.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.577 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 35.1 mt -56.75 -42.88 80.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.532 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -60.1 -39.78 87.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 57.5 mm-40 -70.74 -30.76 67.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.898 HD11 HG23 ' A' ' 62' ' ' VAL . 55.7 mt -93.43 -3.01 53.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -76.58 -58.12 3.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.4 p -77.33 -20.0 55.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.732 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 23.3 mtpt -84.01 -19.1 35.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.489 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 5.7 tpt180 -99.46 -66.0 0.93 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.879 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 78.6 m-85 -76.45 90.43 3.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.575 ' C ' ' O ' ' A' ' 94' ' ' PHE . 6.7 mtmm 25.98 -125.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -122.56 35.93 3.3 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 96' ' ' GLY . 8.0 mttm -54.39 -169.35 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 0.768 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.2 m -84.3 164.95 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -40.94 97.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.98 -52.61 9.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 110.319 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -57.17 -51.88 67.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -54.55 -50.4 68.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.532 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 53.7 t80 -64.97 -37.99 89.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.05 -21.86 66.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.879 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -85.14 -47.77 9.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.618 ' HA ' HD12 ' A' ' 109' ' ' LEU . 4.8 tt -63.61 -30.02 48.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.693 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 22.5 m -71.16 -25.35 62.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 108.291 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -79.15 -12.03 59.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.618 HD12 ' HA ' ' A' ' 106' ' ' ILE . 34.1 mt -88.14 -34.37 17.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.707 HG22 ' OG ' ' A' ' 20' ' ' SER . 5.1 mt -97.37 -65.62 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -40.95 112.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.89 -41.47 2.22 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.1 OUTLIER -71.19 158.78 35.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -134.69 156.13 78.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo -74.97 1.26 7.92 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.518 1.799 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -119.16 -174.84 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 50.47 76.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.635 HD12 ' N ' ' A' ' 118' ' ' ILE . 2.0 mp -107.12 83.38 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -82.18 -113.21 0.43 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.558 1.161 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.9 p -169.64 145.7 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 0.774 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.5 m -126.9 142.65 51.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.409 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 109.46 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -172.84 171.57 4.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -130.46 112.2 13.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 68.5 p -95.02 136.7 35.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.398 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -136.84 -151.22 5.95 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 60.1 86.15 0.04 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.14 154.02 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 0.755 . . . . 0.0 109.266 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 129' ' ' VAL . 12.0 p -170.39 61.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 131' ' ' ARG . 1.4 m-20 -90.13 127.06 36.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 1.8 mtp180 175.97 179.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.425 ' CB ' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER 168.7 104.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 2.8 t -162.01 52.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.416 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -127.41 133.01 50.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.2 m -146.16 90.81 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.398 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 93.6 p -142.28 81.27 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -166.8 143.11 4.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -146.01 118.12 8.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 6.1 t -97.22 138.1 35.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.438 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -118.31 -166.12 13.6 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.456 1.098 . . . . 0.0 111.026 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.03 153.9 42.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.959 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 47.5 m170 -50.98 -62.01 1.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.595 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.13 85.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -132.27 140.22 48.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 3.6 ptp180 -86.16 155.4 20.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.95 95.4 2.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.983 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -104.08 106.67 2.82 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -41.87 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.47 120.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.69 133.89 55.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -168.73 159.81 10.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 109.997 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.09 163.25 15.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.032 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.57 168.27 53.6 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 p -172.74 134.64 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.997 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.4 t -148.26 -62.39 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 110.014 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.36 143.27 13.98 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.54 170.35 7.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 0.75 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -145.2 156.7 44.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.8 177.74 4.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.61 76.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 13' ' ' ASP . 1.3 m -106.38 -80.73 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.393 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.443 ' N ' HG22 ' A' ' 12' ' ' THR . 0.8 OUTLIER -109.86 170.71 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.45 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 38.0 mm -43.11 -70.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 68.72 72.27 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.52 0.28 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.412 ' HB2' HG21 ' A' ' 14' ' ' ILE . 63.6 tp -56.87 -78.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.555 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -47.39 -29.35 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.287 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -71.19 -42.01 69.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.617 ' HB3' HG22 ' A' ' 110' ' ' ILE . 24.4 t -75.0 -46.49 34.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -52.12 -50.35 61.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.89 -47.56 43.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 17.7 mttm -51.2 -47.87 62.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.071 ' CD2' HD13 ' A' ' 45' ' ' LEU . 49.2 m-85 -75.14 -29.81 60.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' CA ' ' HE3' ' A' ' 37' ' ' MET . . . -64.66 -47.83 77.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 10.6 pt -92.91 15.09 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.562 ' CE1' ' HE2' ' A' ' 44' ' ' LYS . 12.0 t-80 -39.32 105.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.596 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.12 -60.68 1.81 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -42.73 106.15 0.46 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.92 8.81 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.78 -47.28 66.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -40.15 130.28 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 m -104.98 12.29 32.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.967 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.71 37.83 33.44 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.482 1.114 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -115.4 -14.16 11.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 0.739 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.61 ' HB3' HG21 ' A' ' 76' ' ' VAL . 0.8 OUTLIER -141.39 154.31 45.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.346 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.417 ' HE3' ' CA ' ' A' ' 25' ' ' ALA . 29.5 ttm -136.31 117.26 14.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.463 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 0.4 OUTLIER -73.17 144.31 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.635 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -50.76 -36.92 33.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.534 1.146 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -61.87 -31.88 72.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -87.36 -38.17 16.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.282 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.851 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.2 t-105 -60.93 -64.16 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 108.035 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.34 -49.67 33.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.562 ' HE2' ' CE1' ' A' ' 27' ' ' HIS . 12.4 tttt -56.64 -39.6 73.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.071 HD13 ' CD2' ' A' ' 24' ' ' PHE . 13.7 tp -68.61 -26.43 65.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.598 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 14.4 m -91.59 27.41 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 108.318 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 -52.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -61.9 -36.64 81.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 18.5 m -79.86 0.13 32.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 108.33 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.9 mmmt 67.1 41.16 2.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.488 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -87.69 -40.78 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -97.24 -177.16 3.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -169.1 -42.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.712 ' O ' HG22 ' A' ' 58' ' ' THR . . . 122.69 -19.34 7.96 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -90.22 -78.86 0.36 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.586 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.08 -44.46 84.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.9 t -123.54 122.55 65.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.712 HG22 ' O ' ' A' ' 54' ' ' GLY . 41.4 p -105.81 140.77 38.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.364 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -49.44 -20.57 2.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.632 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.4 m -77.12 -27.58 54.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 0.783 . . . . 0.0 110.395 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.51 -46.89 16.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.858 HG23 HD11 ' A' ' 89' ' ' LEU . 4.0 p -60.4 -37.08 73.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -47.04 75.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 60' ' ' THR . 25.2 mt -64.97 -48.13 85.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.536 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.4 t -53.88 -50.86 50.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.635 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 6.0 t80 -59.95 -27.53 66.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 1.0 OUTLIER -90.61 -12.08 38.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -90.77 -41.73 11.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 65' ' ' VAL . 11.8 m -68.39 -45.79 81.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 71' ' ' ALA . 4.5 pttp -71.59 -175.28 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.448 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -121.68 147.49 45.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 71' ' ' ALA . 1.8 ttmm -40.29 -29.84 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.448 ' N ' ' C ' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -79.03 -73.65 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.68 148.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.096 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -114.41 -16.23 11.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.61 HG21 ' HB3' ' A' ' 36' ' ' GLU . 34.6 m -119.93 -175.36 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.643 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.8 pt -133.41 148.99 30.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 81' ' ' GLU . 8.9 p-10 -104.43 157.72 16.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 14.0 t80 -40.89 -35.27 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -63.6 -48.51 77.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 78' ' ' ASN . 0.2 OUTLIER -75.46 -39.24 58.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.304 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.643 ' HB2' HD12 ' A' ' 77' ' ' ILE . 23.2 t80 -57.77 -34.15 69.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.21 -29.35 63.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -69.69 -40.91 76.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.522 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.28 -45.18 92.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.558 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 56.0 mt -55.41 -44.11 75.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.584 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.2 mt-10 -58.05 -38.45 76.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 110.242 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -72.82 -27.28 61.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.117 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.858 HD11 HG23 ' A' ' 62' ' ' VAL . 53.8 mt -98.53 0.64 45.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.26 -57.19 3.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.2 p -77.08 -23.24 51.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.435 1.085 . . . . 0.0 110.408 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.586 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.0 mtpt -79.57 -29.55 41.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 13.8 tpt180 -83.81 -65.92 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.95 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 75.4 m-85 -73.69 170.02 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.443 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.48 -139.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -94.69 50.17 2.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.416 ' HG3' ' HG2' ' A' ' 95' ' ' LYS . 3.1 mttm -73.07 177.7 4.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 0.763 . . . . 0.0 109.323 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 18.6 m -78.31 150.61 33.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.022 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -47.93 -42.29 26.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.39 -49.71 14.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 110.253 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -55.31 -52.74 62.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.336 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.27 -41.8 76.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.584 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 31.1 t80 -66.62 -40.27 88.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.64 -22.86 58.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.166 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.95 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -76.3 -43.57 40.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.579 ' HA ' HD12 ' A' ' 109' ' ' LEU . 12.5 tt -69.8 -29.36 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 57.9 m -72.38 -31.61 65.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.107 . . . . 0.0 108.294 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -65.3 -11.12 38.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.162 . . . . 0.0 110.315 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 106' ' ' ILE . 11.4 mt -92.66 -32.27 14.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.617 HG22 ' HB3' ' A' ' 20' ' ' SER . 7.0 mt -91.27 -64.35 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.284 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -40.63 115.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 102.26 -42.34 1.93 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.5 OUTLIER -66.6 168.92 8.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 0.777 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' A' ' 116' ' ' ALA . 1.0 OUTLIER -148.84 157.18 40.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.332 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.578 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo -74.95 1.55 7.59 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.485 1.782 . . . . 0.0 111.025 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.567 ' HB3' ' HG3' ' A' ' 114' ' ' GLU . . . -64.87 178.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -77.35 -56.23 4.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 37.6 mm -118.08 107.48 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -58.67 -98.32 0.01 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.488 1.117 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 4.5 p -172.65 155.36 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.451 0.736 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 55.5 p 45.91 -168.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.383 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -175.13 67.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 56.67 176.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.91 109.04 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 68.0 p -48.83 155.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.433 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -115.71 -164.49 14.13 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.049 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -102.64 161.65 16.79 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -148.36 156.79 42.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 0.766 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 27.4 m -90.86 129.9 40.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -152.45 168.38 25.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.4 153.06 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.252 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 132' ' ' LEU . 0.0 OUTLIER 173.23 149.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 13.9 t -86.18 162.86 18.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.23 154.8 50.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.095 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 18.9 m -152.13 107.81 3.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.393 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.14 -58.47 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.02 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.98 171.75 14.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -138.85 167.46 21.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 13.4 t -44.27 159.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -90.33 -133.94 5.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.56 1.162 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.96 170.33 2.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.958 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -155.29 178.36 10.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.609 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.96 170.59 21.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -133.47 134.7 43.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.76 162.27 35.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.0 t 73.76 159.92 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.962 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -167.67 -119.97 0.5 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -179.22 4.79 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.543 1.812 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.81 169.47 17.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 13.5 m -126.47 171.44 11.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.459 1.1 . . . . 0.0 110.983 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.61 166.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.021 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.7 124.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.86 -61.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -46.41 152.66 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 109.954 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.77 144.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.027 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.73 -158.21 9.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.558 1.161 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.0 mmt -103.13 171.98 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 0.753 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -169.86 137.31 1.64 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 57.63 165.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.9 t -176.86 132.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.979 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -89.41 -46.2 8.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -92.34 -179.63 5.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.432 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 24.2 mm -53.08 -68.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.65 70.38 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 164.44 -28.2 0.21 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.524 HD22 ' SG ' ' A' ' 107' ' ' CYS . 53.9 tp -56.57 -78.69 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . 6.9 tt0 -47.27 -29.13 2.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -69.73 -39.39 76.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB2' HG22 ' A' ' 110' ' ' ILE . 15.0 m -77.43 -47.3 20.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -50.66 -51.04 52.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.83 -46.12 64.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -52.15 -56.0 17.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.986 ' CD1' HD13 ' A' ' 45' ' ' LEU . 40.6 m-85 -63.6 -31.99 73.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.489 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -63.16 -47.4 82.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.487 HG23 ' HA2' ' A' ' 34' ' ' GLY . 15.6 pt -88.82 11.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.616 ' CD2' ' CE ' ' A' ' 44' ' ' LYS . 16.8 t-80 -40.58 118.95 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.601 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 43.47 63.94 1.98 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -171.48 103.93 0.38 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -22.6 14.57 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.498 1.788 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -75.93 -38.63 57.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HB1' HG22 ' A' ' 26' ' ' ILE . . . -47.92 126.73 11.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 74.2 m -81.07 -23.15 38.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.487 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . 95.78 27.71 10.16 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -114.38 -14.0 12.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 0.777 . . . . 0.0 110.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.6 mp0 -126.99 152.18 47.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.323 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.544 ' HE1' HD22 ' A' ' 45' ' ' LEU . 34.4 ttm -137.47 118.58 14.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.7 m-20 -73.62 143.32 46.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.614 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.45 -35.6 10.57 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -63.73 -35.89 82.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 38' ' ' ASN . 10.7 m-20 -83.22 -37.79 23.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.953 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.7 t-105 -60.06 -57.09 14.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 107.96 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.83 -52.34 65.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.616 ' CE ' ' CD2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -53.37 -37.04 62.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.311 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.986 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.3 tp -69.49 -25.63 64.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 31.8 m -93.36 33.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.27 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.33 -65.95 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -43.28 84.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 17.8 m -65.98 -9.78 33.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 108.293 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt 69.65 34.78 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG13 ' CG1' ' A' ' 106' ' ' ILE . 2.0 t -80.66 -36.32 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.466 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -94.33 -177.9 4.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.8 -43.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.724 ' O ' HG22 ' A' ' 58' ' ' THR . . . 119.33 -26.71 7.27 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 110.99 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.17 -79.81 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 0.775 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.786 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.85 -45.92 87.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.5 t -123.53 119.52 57.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.724 HG22 ' O ' ' A' ' 54' ' ' GLY . 57.7 p -99.93 139.34 35.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 110.38 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.91 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.67 -25.9 0.97 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.4 m -76.0 -40.5 53.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 110.38 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.6 OUTLIER -58.8 -42.74 89.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.953 HG22 ' NE1' ' A' ' 42' ' ' TRP . 5.2 p -61.77 -25.97 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.54 -48.04 17.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 25.3 mt -60.45 -49.23 85.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.689 HG22 ' HE3' ' A' ' 68' ' ' LYS . 4.7 t -59.0 -42.16 85.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.614 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 14.0 t80 -60.6 -33.61 73.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.051 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.7 t -89.19 -7.03 56.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.689 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -94.44 -24.08 17.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.568 HG13 ' O ' ' A' ' 65' ' ' VAL . 19.4 m -90.29 -30.12 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.727 ' HB3' HG22 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -95.04 178.52 5.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.421 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -113.25 144.04 43.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 37.3 tttm -40.3 -30.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.421 ' N ' ' C ' ' A' ' 71' ' ' ALA . 28.0 p -72.92 -73.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.47 145.53 4.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.0 ptt180 -113.26 -2.08 14.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.299 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -131.27 162.36 39.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.727 HG22 ' HB3' ' A' ' 70' ' ' LYS . 36.0 pt -115.79 150.7 17.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -105.59 160.11 15.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' A' ' 18' ' ' GLU . 19.3 t80 -46.57 -26.22 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.57 1.169 . . . . 0.0 111.012 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -76.07 -35.86 59.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 78' ' ' ASN . 27.8 mt-10 -90.24 -24.68 20.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.577 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 13.5 t80 -73.6 -28.66 61.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -28.89 61.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.89 -42.5 90.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.638 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -63.39 -44.97 93.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.717 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 43.1 mt -57.31 -31.5 65.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.565 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -71.39 -38.21 71.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -75.0 -30.42 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.503 HD11 HG23 ' A' ' 62' ' ' VAL . 55.5 mt -94.98 -8.87 35.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -64.75 -58.91 4.97 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 p -76.96 -41.93 41.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.786 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 12.7 mtpt -57.71 -20.32 33.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 52.2 tpt85 -100.34 -54.2 2.92 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.974 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.1 m-85 -88.25 93.82 9.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 24.22 -120.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -129.76 33.96 2.86 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.128 . . . . 0.0 110.999 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 96' ' ' GLY . 28.4 mttt -53.1 -172.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m -81.77 162.54 22.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 1.138 . . . . 0.0 110.047 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 24.3 tttm -57.46 -44.94 85.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 104' ' ' ASP . 3.0 mm-40 -72.89 -52.65 13.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.242 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -55.66 -51.45 67.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -52.91 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.565 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 49.4 t80 -62.13 -32.76 73.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -71.88 -22.93 61.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.974 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -84.19 -45.99 12.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.525 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.3 tt -65.98 -34.49 70.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.524 ' SG ' HD22 ' A' ' 17' ' ' LEU . 34.0 m -68.93 -31.4 70.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 108.293 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -71.07 -15.43 62.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.525 HD12 ' HA ' ' A' ' 106' ' ' ILE . 64.3 mt -84.07 -34.74 24.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.775 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.9 mt -94.12 -62.64 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.432 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -41.63 111.96 0.28 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 107.86 -41.01 2.32 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.3 OUTLIER -73.69 169.09 18.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 0.79 . . . . 0.0 109.325 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.49 ' O ' HD11 ' A' ' 118' ' ' ILE . 6.6 pm0 -149.72 156.71 38.73 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.674 ' O ' ' HB3' ' A' ' 116' ' ' ALA . 18.2 Cg_endo -74.98 -158.36 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.462 1.769 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.674 ' HB3' ' O ' ' A' ' 115' ' ' PRO . . . 82.05 -157.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.36 -34.79 65.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.155 . . . . 0.0 109.265 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.49 HD11 ' O ' ' A' ' 114' ' ' GLU . 66.1 mt 66.73 104.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -166.12 57.16 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 29.6 m -116.94 -173.53 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.455 0.738 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.8 m 62.44 158.59 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.546 1.154 . . . . 0.0 110.392 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -177.34 59.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -104.37 177.1 4.94 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -111.53 156.15 22.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 2.5 m -65.65 -62.3 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.395 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 127.53 -136.33 9.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.546 1.154 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 172.3 170.33 36.02 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -119.85 -173.01 2.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.446 0.733 . . . . 0.0 109.328 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.62 HG23 ' N ' ' A' ' 130' ' ' ASP . 9.7 m -66.12 -144.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.62 ' N ' HG23 ' A' ' 129' ' ' VAL . 6.6 p-10 172.01 170.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.414 ' O ' ' HB3' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -125.94 -68.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.275 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 133' ' ' THR . 0.3 OUTLIER 71.92 -60.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.579 1.174 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.425 ' N ' ' HG ' ' A' ' 132' ' ' LEU . 41.5 p -62.05 99.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -169.79 122.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 24.1 m -128.25 -71.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.383 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.65 99.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.011 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -157.92 147.56 19.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -147.31 113.7 5.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 53.6 m -122.67 118.56 28.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.443 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 157.27 87.41 0.06 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.4 t -176.65 157.52 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.978 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 171.46 17.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 0.0 109.623 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -174.67 -68.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 70.89 148.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -119.27 158.8 25.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.65 158.45 28.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.959 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -99.6 165.45 20.22 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.458 1.099 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -178.05 3.89 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.467 1.772 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.73 163.64 18.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.22 170.56 9.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.957 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.551 ' O ' ' HB2' ' A' ' 123' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t -73.96 149.83 41.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.743 . . . . 0.0 110.007 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.92 89.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.02 80.35 0.05 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -130.72 84.65 2.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 0.756 . . . . 0.0 110.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.1 137.69 18.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.976 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.44 -71.18 0.3 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 111.028 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.36 92.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -147.6 82.21 1.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.95 -162.96 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.76 -147.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.959 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 13' ' ' ASP . 3.2 t -84.67 -49.18 8.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.461 ' N ' ' CG2' ' A' ' 12' ' ' THR . 2.3 p30 -95.85 160.26 14.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.529 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 45.5 mm -41.65 -76.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 73.89 74.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.01 -24.25 0.47 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.113 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD22 ' SG ' ' A' ' 107' ' ' CYS . 57.3 tp -57.95 -78.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.375 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.16 -26.33 1.11 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -73.57 -46.18 48.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.775 ' HB2' HG22 ' A' ' 110' ' ' ILE . 51.0 m -69.0 -42.27 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.027 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.618 ' CE2' ' SD ' ' A' ' 37' ' ' MET . 6.2 t80 -54.72 -53.02 60.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.491 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -54.26 -45.38 72.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -50.24 -43.04 52.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.74 ' CD1' HD13 ' A' ' 45' ' ' LEU . 21.6 m-85 -82.86 -22.56 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.862 ' HB2' ' SD ' ' A' ' 37' ' ' MET . . . -75.05 -46.74 32.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 12.8 pt -89.41 24.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 115' ' ' PRO . 0.8 OUTLIER -99.76 98.63 9.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.572 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.78 -42.87 1.12 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -127.38 134.33 26.05 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -24.49 12.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.474 1.776 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 32' ' ' ALA . 14.2 mttm -68.63 -32.8 72.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -39.71 132.35 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.4 t -96.4 -15.13 21.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 0.0 109.964 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.434 ' HA3' ' CD ' ' A' ' 22' ' ' ARG . . . 93.41 23.06 25.18 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.514 1.134 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -113.37 -4.27 13.66 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.508 0.769 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -134.49 151.11 50.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.329 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.862 ' SD ' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -142.89 137.58 29.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -94.04 143.65 26.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.713 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -57.22 -17.36 23.87 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 mmtt -72.3 -40.06 67.82 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 0.763 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' LEU . 1.4 m120 -83.15 -40.5 19.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.955 ' NE1' HG22 ' A' ' 62' ' ' VAL . 2.4 t-105 -52.02 -44.69 64.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 107.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.501 ' O ' ' N ' ' A' ' 46' ' ' CYS . . . -69.08 -60.87 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -49.81 -24.65 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.74 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.8 tp -78.4 -31.99 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.5 OUTLIER -72.65 -12.7 61.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 108.271 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.44 -46.56 4.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -57.84 -43.15 85.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 m -82.76 -12.88 57.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 108.321 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.7 mmtm 71.53 42.43 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.279 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.544 HG12 HD11 ' A' ' 106' ' ' ILE . 2.6 t -82.74 -41.27 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.463 ' CB ' ' SG ' ' A' ' 46' ' ' CYS . . . -91.27 -166.68 1.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -173.06 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.832 ' O ' HG22 ' A' ' 58' ' ' THR . . . 122.71 -25.12 6.59 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.2 mtmt -84.43 -76.5 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 0.734 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.938 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -71.2 -38.81 72.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLY . 25.0 t -124.71 119.85 57.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.832 HG22 ' O ' ' A' ' 54' ' ' GLY . 57.6 p -106.4 140.56 39.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.366 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -48.6 -21.82 2.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.515 1.135 . . . . 0.0 111.042 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.647 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -74.27 -28.97 61.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.77 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -79.78 -50.59 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.955 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.3 p -57.36 -34.66 46.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -72.01 -48.3 45.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.647 HD12 ' O ' ' A' ' 60' ' ' THR . 36.0 mt -63.62 -49.62 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.735 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -52.03 -49.03 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.713 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 2.3 t80 -58.61 -33.79 70.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.9 t -89.71 0.06 57.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.442 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -104.22 -23.64 13.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 65' ' ' VAL . 11.0 m -85.31 -42.34 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 69' ' ' VAL . 16.8 pttp -56.67 -164.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -92.32 -153.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.46 -20.73 61.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.5 t -142.68 -88.58 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 54.1 171.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.769 ' O ' HG13 ' A' ' 76' ' ' VAL . 6.9 ptt180 -137.82 13.06 2.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.344 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.769 HG13 ' O ' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -164.3 172.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.318 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.2 pt -129.13 155.11 40.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.241 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' GLU . 6.2 p30 -104.07 158.54 16.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -43.06 -46.87 5.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -55.73 -36.95 67.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.253 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' ASN . 53.7 mt-10 -83.06 -23.51 33.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.679 ' CE2' HD11 ' A' ' 86' ' ' LEU . 47.3 t80 -73.61 -34.25 64.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.9 ptpt -74.91 -27.54 60.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -66.28 -47.57 73.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.559 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -61.14 -44.5 97.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.679 HD11 ' CE2' ' A' ' 82' ' ' PHE . 39.2 mt -52.29 -42.6 63.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 16.8 mt-10 -59.19 -50.02 75.65 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 5.7 mm-40 -62.99 -26.67 68.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.635 HD11 HG23 ' A' ' 62' ' ' VAL . 53.3 mt -99.3 2.1 45.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.26 -56.59 4.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.1 p -77.19 -19.08 57.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.938 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 9.0 mtpt -85.79 -23.87 27.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 45.0 tpt85 -89.01 -66.08 0.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.928 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 68.6 m-85 -75.16 175.85 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.28 -148.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -86.55 24.75 8.04 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.53 1.144 . . . . 0.0 110.931 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 96' ' ' GLY . 13.5 mttt -48.93 177.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 0.789 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.5 m -79.91 160.28 26.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.59 -50.95 62.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 104' ' ' ASP . 14.7 mt-10 -68.1 -49.5 60.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -55.5 -51.7 66.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.72 95.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.605 ' O ' HG22 ' A' ' 106' ' ' ILE . 52.9 t80 -67.96 -35.16 77.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.1 OUTLIER -77.34 -36.33 53.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.928 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -63.12 -39.86 95.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.643 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.8 tt -73.14 -27.88 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.473 ' SG ' HD22 ' A' ' 17' ' ' LEU . 17.6 m -71.09 -32.45 69.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 108.285 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -71.39 -14.04 62.04 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.643 HD12 ' HA ' ' A' ' 106' ' ' ILE . 65.7 mt -82.34 -38.28 24.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.775 HG22 ' HB2' ' A' ' 20' ' ' SER . 4.5 mt -93.22 -60.53 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.415 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -41.13 105.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 113.76 -46.07 1.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.48 1.113 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.6 mttm -64.88 165.48 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.41 156.55 36.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.558 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.0 0.9 8.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.72 -169.49 1.56 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.1 t30 44.48 82.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.52 HG22 ' O ' ' A' ' 118' ' ' ILE . 3.3 mp -93.48 57.4 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -138.68 56.46 0.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.664 ' O ' HG23 ' A' ' 120' ' ' VAL . 11.1 m -101.9 100.26 10.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.536 0.786 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 121' ' ' THR . 8.9 t -127.87 117.67 22.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -172.19 84.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.352 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 1' ' ' GLY . . . -146.0 152.37 39.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.24 161.16 14.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 81.4 p -39.73 103.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -101.89 -107.32 3.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 98.61 -131.15 10.47 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 64.41 164.48 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 109.328 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 129' ' ' VAL . 35.2 m -139.4 98.08 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -106.63 117.7 34.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.51 172.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 173.66 141.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 24.3 m 43.56 75.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.42 115.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.122 . . . . 0.0 109.34 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.426 HG23 ' N ' ' A' ' 136' ' ' SER . 4.1 t -157.34 -49.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.413 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.426 ' N ' HG23 ' A' ' 135' ' ' THR . 3.2 m -60.92 -56.48 20.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.03 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 tttp 54.9 90.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -154.64 120.06 5.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.96 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 43.1 p -83.18 121.83 27.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.425 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -69.44 91.01 0.3 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.531 1.144 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 13.2 t -130.46 114.6 15.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 110.008 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -145.3 155.86 43.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.607 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.93 161.23 1.54 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.39 112.14 19.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -171.1 91.19 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.24 126.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.055 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -148.05 79.33 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -41.93 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.51 1.795 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 66.5 m -147.96 94.45 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 10.0 t -166.14 -60.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.519 1.137 . . . . 0.0 111.015 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -119.87 129.31 54.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 110.01 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.64 100.43 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.032 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.5 119.86 0.9 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.433 1.083 . . . . 0.0 110.988 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.3 p -169.89 170.71 7.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 0.771 . . . . 0.0 110.027 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 75.14 -59.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.997 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.12 67.2 0.02 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.494 1.121 . . . . 0.0 111.025 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 38.26 87.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 0.788 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 62.99 114.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -170.59 135.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.4 m -147.42 110.34 4.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 t -168.79 -47.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.385 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.41 169.43 9.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.629 HG22 ' H ' ' A' ' 15' ' ' ALA . 1.2 mm -104.27 -156.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.629 ' H ' HG22 ' A' ' 14' ' ' ILE . . . -178.75 77.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.59 -13.12 2.47 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.775 HD22 ' SG ' ' A' ' 107' ' ' CYS . 59.8 tp -51.16 -74.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 10.7 tt0 -46.98 -30.15 2.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -69.1 -36.83 77.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB2' HG22 ' A' ' 110' ' ' ILE . 67.8 m -75.67 -49.02 19.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' ALA . 31.1 t80 -50.05 -52.61 32.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.434 ' NH1' ' OE1' ' A' ' 18' ' ' GLU . 2.8 mtt180 -48.93 -47.67 43.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 17.7 mttm -52.11 -53.01 47.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.96 ' CD1' HD13 ' A' ' 45' ' ' LEU . 45.8 m-85 -70.46 -25.42 63.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.955 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -73.57 -47.93 36.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.088 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.583 HG23 ' HA2' ' A' ' 34' ' ' GLY . 4.7 pt -92.13 16.58 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -54.98 115.77 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.623 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.75 57.75 17.34 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -168.38 106.8 0.53 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -24.49 12.67 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.64 -36.71 51.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.427 ' CB ' ' HA ' ' A' ' 26' ' ' ILE . . . -50.58 126.58 15.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.8 m -92.01 -6.55 50.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.989 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.583 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . 84.44 36.11 12.96 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.41 ' O ' ' OD1' ' A' ' 78' ' ' ASN . 4.9 mt-30 -115.43 -30.79 6.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 0.754 . . . . 0.0 110.346 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.407 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 0.9 OUTLIER -114.81 157.34 23.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.2 ttm -143.22 133.66 24.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -84.92 143.3 29.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.591 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.15 -32.15 6.47 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 111.015 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -42.54 83.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.305 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -76.64 -27.96 55.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.871 ' NE1' HG22 ' A' ' 62' ' ' VAL . 3.2 t-105 -70.2 -70.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 107.997 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -44.12 -54.7 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -54.07 -40.85 67.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.96 HD13 ' CD1' ' A' ' 24' ' ' PHE . 10.5 tp -66.08 -25.51 67.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.524 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 13.6 m -93.62 37.09 1.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 108.268 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.416 ' O ' ' N ' ' A' ' 50' ' ' LYS . 0.1 OUTLIER -142.74 -68.48 0.36 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -56.62 -26.54 56.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.503 ' SG ' HD12 ' A' ' 45' ' ' LEU . 56.8 m -84.75 6.49 24.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 108.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 47' ' ' LYS . 3.9 mptt 59.6 40.41 20.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.75 ' HA ' HD23 ' A' ' 109' ' ' LEU . 1.5 t -91.53 -40.89 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -105.63 -178.35 3.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.29 -42.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.778 ' O ' HG22 ' A' ' 58' ' ' THR . . . 125.14 -23.2 6.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.512 1.133 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.19 -79.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 0.759 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.666 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.59 -42.4 98.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.74 125.55 65.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.778 HG22 ' O ' ' A' ' 54' ' ' GLY . 44.4 p -108.23 140.6 41.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.426 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -49.01 -21.4 2.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.539 1.149 . . . . 0.0 110.999 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.499 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -77.51 -29.37 52.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.356 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -78.94 -48.08 15.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.871 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.7 p -58.28 -37.21 61.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.53 -45.21 84.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.499 HD12 ' O ' ' A' ' 60' ' ' THR . 27.7 mt -63.88 -49.01 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -54.27 -45.36 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.591 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 32.9 t80 -60.71 -32.38 71.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.0 t -90.74 -4.87 56.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.12 -21.66 18.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 65' ' ' VAL . 13.6 m -93.82 -35.33 6.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.12 -175.36 5.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.431 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -126.55 148.79 49.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -40.31 -29.78 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.431 ' N ' ' C ' ' A' ' 71' ' ' ALA . 0.6 OUTLIER -74.82 -74.0 0.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.68 145.14 9.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.66 -10.68 11.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.269 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 4.6 m -122.31 168.83 14.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.3 pt -125.22 146.91 30.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 81' ' ' GLU . 36.3 m-20 -97.4 160.36 14.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 21.7 t80 -44.36 -32.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.87 -41.35 71.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 78' ' ' ASN . 36.6 mt-10 -82.89 -14.02 55.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.604 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 39.9 t80 -82.42 -34.04 28.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -72.3 -29.59 64.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.5 mtmt -60.58 -57.11 14.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.6 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -52.15 -44.6 64.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.77 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 80.6 mt -57.27 -29.84 64.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.435 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.3 mt-10 -74.59 -36.84 63.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.429 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 61.0 mm-40 -76.12 -29.79 57.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.864 HD11 HG23 ' A' ' 62' ' ' VAL . 65.4 mt -94.93 -17.94 21.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.77 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -52.42 -61.52 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.44 ' O ' ' O ' ' A' ' 95' ' ' LYS . 45.3 p -69.73 -48.13 60.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.433 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.666 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 14.7 mtpt -55.35 -24.8 31.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.526 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 47.7 tpt85 -89.02 -52.76 4.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.79 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 82.9 m-85 -96.39 94.35 7.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.576 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 25.13 -119.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -129.82 35.7 2.5 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.418 ' O ' ' O ' ' A' ' 96' ' ' GLY . 12.5 mttt -54.39 -169.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.8 m -83.49 158.74 21.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -55.63 -42.52 75.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -75.29 -52.49 10.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 110.288 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.58 -51.72 66.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.16 -52.87 63.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.459 ' CE2' ' SG ' ' A' ' 107' ' ' CYS . 64.3 t80 -60.76 -36.51 79.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.13 -28.39 68.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.79 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -78.86 -55.36 5.21 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.819 ' HA ' HD22 ' A' ' 109' ' ' LEU . 6.8 tt -57.2 -36.14 50.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.775 ' SG ' HD22 ' A' ' 17' ' ' LEU . 1.3 m -58.1 -33.8 69.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 108.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -73.48 -39.05 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.819 HD22 ' HA ' ' A' ' 106' ' ' ILE . 0.4 OUTLIER -48.29 -37.16 15.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.628 HG23 HD11 ' A' ' 45' ' ' LEU . 3.5 mt -98.28 -65.73 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.48 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . . . -39.72 123.71 1.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 96.2 -37.77 3.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.5 mttm -78.62 157.6 28.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.402 ' HG2' ' CD ' ' A' ' 23' ' ' LYS . 19.3 mt-10 -129.83 155.07 81.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.584 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -74.99 1.3 7.88 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -152.32 111.37 3.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 174.92 76.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 118' ' ' ILE . 2.7 mp 45.39 60.27 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -157.33 108.14 0.35 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 34.6 m -108.35 -169.97 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 3.0 m -46.26 154.17 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -173.51 109.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -127.52 172.48 10.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.86 115.08 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 10.8 t -108.6 142.66 38.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.423 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 134.05 165.44 10.97 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 91.77 -118.73 5.55 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 50.82 87.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 0.751 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 129' ' ' VAL . 7.7 p -122.92 116.09 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 24.8 t0 62.28 163.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.829 ' O ' HD12 ' A' ' 132' ' ' LEU . 1.2 mtt180 177.18 168.4 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.829 HD12 ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER -169.64 99.78 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -59.42 120.44 9.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.459 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -128.6 140.95 51.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 95.9 m -111.96 71.3 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.433 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 44.0 m -55.12 -55.65 28.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.22 176.19 5.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -169.95 -40.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 72.3 p -113.58 116.11 29.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 110.354 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -148.75 127.55 2.55 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 81.1 p -142.01 147.13 36.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 0.745 . . . . 0.0 110.011 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.88 145.74 37.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.566 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -161.3 132.11 5.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 53.38 52.9 12.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -122.37 163.67 19.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 40.5 t 60.53 116.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.527 1.142 . . . . 0.0 110.042 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 178.39 99.81 0.13 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.464 1.103 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 160.68 39.87 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.48 -62.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 80.3 p -149.92 153.83 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 p -129.95 139.78 51.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 0.761 . . . . 0.0 110.021 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.2 p -132.49 164.9 25.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.5 -133.53 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.488 1.117 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -162.29 172.97 14.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 0.746 . . . . 0.0 110.006 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -154.26 144.09 21.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.004 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.21 134.22 4.33 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.523 1.139 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.06 148.41 22.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 0.805 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -177.34 95.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -173.91 117.94 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.16 100.96 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.023 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 13' ' ' ASP . 15.3 t -88.23 -51.72 5.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' N ' HG23 ' A' ' 12' ' ' THR . 3.0 p-10 -80.07 168.16 19.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.692 HG22 ' N ' ' A' ' 15' ' ' ALA . 1.9 mp -39.87 -85.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.692 ' N ' HG22 ' A' ' 14' ' ' ILE . . . 77.94 83.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 141.53 -13.36 2.72 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.552 1.158 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.646 HD22 ' SG ' ' A' ' 107' ' ' CYS . 20.8 tp -51.91 -64.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.428 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 11.2 tt0 -54.46 -32.99 58.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -63.71 -50.5 68.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.629 ' HB3' HG22 ' A' ' 110' ' ' ILE . 18.6 t -60.86 -46.35 90.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' ALA . 19.5 t80 -51.09 -53.92 29.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.94 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.474 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -50.48 -47.49 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -49.87 -53.87 23.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.985 ' CD2' HD13 ' A' ' 45' ' ' LEU . 47.5 m-85 -72.33 -25.68 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 110.99 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -71.16 -47.54 57.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 pt -87.43 12.0 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' HB3' ' ND2' ' A' ' 41' ' ' ASN . 38.2 t-80 -49.65 114.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.606 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 55.76 64.26 4.54 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.471 1.107 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.468 ' OD2' ' HB2' ' A' ' 32' ' ' ALA . 61.1 t0 176.92 103.71 0.11 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.51 0.771 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -26.39 10.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.78 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -70.2 -25.42 63.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -65.53 132.47 48.98 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -103.54 -0.7 29.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.993 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 86.26 37.32 9.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.54 1.15 . . . . 0.0 111.033 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -113.59 -14.28 12.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 0.8 . . . . 0.0 110.327 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -133.54 150.21 51.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.337 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.44 ' N ' ' O ' ' A' ' 77' ' ' ILE . 21.8 ttm -138.25 117.27 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' ASN . 1.4 m-20 -74.28 143.33 45.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.583 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.84 -35.92 13.06 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -32.94 74.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 0.797 . . . . 0.0 109.339 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' ASN . 48.0 m-20 -85.49 -35.74 20.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.821 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.6 t-105 -65.61 -60.45 2.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 108.001 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.74 -48.78 66.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.22 -48.99 79.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.985 HD13 ' CD2' ' A' ' 24' ' ' PHE . 10.9 tp -57.17 -30.61 64.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' ALA . 81.2 m -84.21 5.13 27.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 108.341 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.813 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -113.95 -54.6 2.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.97 -32.44 70.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 92.0 m -91.01 15.75 10.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 108.296 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.87 51.12 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.491 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.5 t -95.12 -28.58 4.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.813 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -110.56 80.57 1.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -53.72 -35.27 60.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.955 ' O ' HG22 ' A' ' 58' ' ' THR . . . 112.02 -33.62 5.64 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.45 1.094 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -74.49 -75.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 0.747 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.683 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -64.65 -41.23 96.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.132 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.421 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 3.1 t -119.49 122.37 68.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.955 HG22 ' O ' ' A' ' 54' ' ' GLY . 69.7 p -112.35 142.28 45.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.407 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.551 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -44.21 -23.98 0.52 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.496 1.122 . . . . 0.0 111.042 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.481 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -72.63 -35.47 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 110.388 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -74.66 -50.1 18.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.87 HG23 HD11 ' A' ' 89' ' ' LEU . 4.6 p -60.54 -37.03 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.68 -42.14 98.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 60' ' ' THR . 28.7 mt -71.78 -47.36 57.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.4 t -54.18 -47.46 67.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.583 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 12.6 t80 -59.51 -33.06 70.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.3 t -91.53 -5.55 53.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.533 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -95.1 -22.67 17.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 65' ' ' VAL . 23.6 m -87.46 -34.28 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 66' ' ' PHE . 1.1 pttp -91.09 -160.49 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.49 179.3 5.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.91 -11.71 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -94.1 -74.93 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.9 151.13 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.5 -2.09 8.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.5 m -132.6 160.94 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.547 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.9 pt -120.52 154.73 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.401 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -107.15 159.94 15.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.428 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.7 t80 -41.75 -28.5 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -73.12 -48.68 33.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.401 ' N ' ' O ' ' A' ' 78' ' ' ASN . 49.4 mt-10 -77.28 -16.67 58.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.699 ' CE2' HD11 ' A' ' 86' ' ' LEU . 11.8 t80 -82.36 -32.81 29.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.522 1.139 . . . . 0.0 110.957 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -72.07 -29.61 64.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -62.52 -55.24 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.598 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -50.32 -48.03 55.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.699 HD11 ' CE2' ' A' ' 82' ' ' PHE . 97.5 mt -53.81 -39.8 65.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.579 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.6 mt-10 -63.32 -36.27 83.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 56.1 mm-40 -76.88 -26.36 54.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.87 HD11 HG23 ' A' ' 62' ' ' VAL . 61.1 mt -98.68 -0.61 42.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 1.074 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -77.56 -57.74 3.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.1 p -76.81 -21.77 54.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.374 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.683 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 23.6 mtpt -82.01 -21.66 36.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 19.9 tpt85 -97.19 -66.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.896 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 72.9 m-85 -75.49 91.42 2.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.161 . . . . 0.0 111.01 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.615 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 22.19 -124.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -122.41 36.35 3.19 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 96' ' ' GLY . 11.3 mttm -54.45 -169.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 0.795 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 10.6 m -82.93 161.98 21.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -60.17 -42.07 94.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 104' ' ' ASP . 2.9 mt-10 -73.94 -53.39 10.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 105' ' ' ALA . 1.2 mt-10 -58.5 -52.07 67.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.504 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -54.89 -41.58 71.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.579 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 80.1 t80 -75.19 -29.6 60.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.2 OUTLIER -79.55 -22.19 44.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -81.13 -33.3 33.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.576 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.8 tt -78.48 -32.12 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.646 ' SG ' HD22 ' A' ' 17' ' ' LEU . 84.9 m -68.81 -36.1 77.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 108.294 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -67.17 -15.34 63.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 106' ' ' ILE . 77.4 mt -83.05 -39.04 21.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.629 HG22 ' HB3' ' A' ' 20' ' ' SER . 6.6 mt -87.02 -66.31 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.606 ' CB ' HG23 ' A' ' 14' ' ' ILE . . . -39.04 125.55 1.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 97.11 -40.04 2.64 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -75.17 164.72 26.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 0.728 . . . . 0.0 109.339 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -150.89 156.71 35.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.557 1.161 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.559 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -74.98 -158.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.554 1.818 . . . . 0.0 110.956 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 115' ' ' PRO . . . 71.68 -173.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -99.53 73.92 1.86 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -102.0 -160.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 56.96 99.0 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 16.8 t -42.47 111.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.4 t -166.94 153.96 8.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.387 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.58 149.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.29 145.74 25.96 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.11 149.01 31.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 14.8 m -107.82 148.99 28.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.38 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -48.53 176.58 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.52 1.138 . . . . 0.0 110.988 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -138.62 164.09 25.74 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.9 174.93 10.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 0.739 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 55.5 t -131.29 129.82 62.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -67.25 83.3 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -151.2 171.43 17.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.86 106.5 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -163.14 153.57 16.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.8 t70 176.22 146.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.5 m -147.43 82.74 1.54 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.38 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.04 -58.95 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 74.39 -63.61 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER 47.66 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 110.964 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 18.6 m -91.92 140.35 29.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.381 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -82.94 131.16 10.17 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 14.3 m -104.37 148.6 26.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -121.48 -61.14 1.55 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.571 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.16 156.97 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.02 132.49 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.75 145.88 41.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.289 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 24.9 t -158.09 166.77 31.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -149.92 136.03 5.53 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -178.76 4.39 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.017 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 25.8 p -133.56 154.01 51.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.3 p -133.68 169.2 17.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.102 . . . . 0.0 109.991 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 52.74 100.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.034 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 p -43.91 127.45 5.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.68 -59.33 0.42 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.449 1.093 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 m -55.91 143.92 30.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.84 171.42 20.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.133 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.81 125.0 2.99 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.8 ptm -82.65 171.58 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.86 165.31 11.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.86 178.77 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.29 93.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -122.73 -46.58 2.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.97 179.3 4.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.432 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 24.5 mm -49.33 -68.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 65.7 69.83 0.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 165.02 -28.63 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.615 HD22 ' SG ' ' A' ' 107' ' ' CYS . 45.4 tp -57.21 -75.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 7.2 tt0 -48.19 -24.77 1.24 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -73.92 -34.19 64.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.92 -44.21 15.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.985 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' ALA . 33.1 t80 -50.04 -52.62 32.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.462 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.7 OUTLIER -52.0 -47.45 64.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.338 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 44.6 mttt -50.26 -48.67 54.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.857 ' CD1' HD13 ' A' ' 45' ' ' LEU . 39.9 m-85 -76.54 -26.83 55.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.462 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -71.13 -47.98 54.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pt -93.45 16.4 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.451 ' O ' ' ND1' ' A' ' 27' ' ' HIS . 1.8 t-80 -52.94 100.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.553 1.158 . . . . 0.0 109.628 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.86 -55.24 2.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -60.86 111.13 3.66 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.49 0.759 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -28.94 8.73 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.475 1.776 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 32' ' ' ALA . 1.0 OUTLIER -69.28 -52.93 22.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -38.16 130.4 1.22 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.4 m -107.33 -5.43 17.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 105.78 31.08 4.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.529 1.143 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -110.46 -4.59 15.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.15 152.68 38.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 77' ' ' ILE . 13.0 ttm -145.47 120.35 9.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 41' ' ' ASN . 2.0 m-20 -73.64 143.35 46.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.575 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -46.44 -39.63 10.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -63.25 -37.19 86.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 38' ' ' ASN . 38.7 m-20 -82.05 -6.74 59.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.776 ' HE1' HG22 ' A' ' 62' ' ' VAL . 3.3 t-105 -96.47 -62.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 108.01 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.02 -44.2 67.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -61.33 -46.89 88.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.857 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.3 tp -55.28 -28.56 54.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.507 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 66.3 m -77.24 -54.04 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.708 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -58.75 -36.54 74.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.92 -30.93 64.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.411 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 66.4 m -99.79 15.51 26.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.32 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' CYS . 6.4 mmtm 43.71 47.17 6.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.9 t -90.69 -35.63 7.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.708 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -102.01 66.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -40.67 -37.44 0.74 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.854 ' O ' HG22 ' A' ' 58' ' ' THR . . . 115.08 -35.06 4.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -75.12 -76.62 0.14 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.89 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -67.05 -34.21 77.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 52' ' ' ALA . 25.5 t -123.19 117.64 52.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.854 HG22 ' O ' ' A' ' 54' ' ' GLY . 61.0 p -107.37 141.33 38.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.402 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.465 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -43.91 -24.99 0.56 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.518 ' O ' HD12 ' A' ' 64' ' ' ILE . 2.8 m -76.03 -38.82 56.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.743 . . . . 0.0 110.426 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.1 m-20 -67.8 -46.65 71.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.801 HG23 HD11 ' A' ' 89' ' ' LEU . 10.5 p -64.31 -44.82 97.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.64 -52.98 60.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 60' ' ' THR . 16.9 mt -58.71 -47.17 89.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.528 ' CG1' ' CB ' ' A' ' 85' ' ' ALA . 5.0 t -53.64 -47.02 61.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 13.4 t80 -59.62 -33.51 71.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.94 -3.96 56.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.483 1.114 . . . . 0.0 110.016 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.49 -19.6 19.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -95.96 -21.13 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 71' ' ' ALA . 0.3 OUTLIER -104.32 -173.92 2.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' O ' ' CE ' ' A' ' 70' ' ' LYS . . . -108.18 -166.3 1.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.73 -16.44 28.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.08 -60.16 1.92 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.29 149.16 5.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.75 7.96 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.39 155.47 20.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' MET . 1.4 pt -116.61 153.66 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 81' ' ' GLU . 8.6 m-20 -103.92 158.29 16.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.447 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 19.7 t80 -39.98 -37.3 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.67 -48.6 74.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 78' ' ' ASN . 95.7 mt-10 -74.81 -14.01 60.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.667 ' CE2' HD11 ' A' ' 86' ' ' LEU . 39.4 t80 -82.11 -37.57 26.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -68.48 -30.29 69.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -60.34 -58.05 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.528 ' CB ' ' CG1' ' A' ' 65' ' ' VAL . . . -49.5 -47.36 48.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.667 HD11 ' CE2' ' A' ' 82' ' ' PHE . 82.9 mt -53.24 -40.07 64.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.577 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.9 mt-10 -64.62 -37.18 86.68 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -76.71 -27.44 55.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.333 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.801 HD11 HG23 ' A' ' 62' ' ' VAL . 48.1 mt -98.16 -0.2 44.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.539 ' HB1' ' C ' ' A' ' 102' ' ' ALA . . . -75.75 -57.3 3.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 33.8 p -74.33 -21.66 59.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.394 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.89 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 8.6 mtpt -84.22 -22.95 30.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 21.0 tpt85 -89.1 -65.52 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.719 ' CZ ' ' HB1' ' A' ' 105' ' ' ALA . 90.0 m-85 -80.33 -175.0 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.465 ' O ' ' CG ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -156.87 161.31 39.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.87 17.83 3.81 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.038 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -99.89 -127.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.754 . . . . 0.0 109.283 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.2 OUTLIER -164.61 176.1 9.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 0.0 OUTLIER -59.22 -48.25 82.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 104' ' ' ASP . 21.8 mt-10 -77.37 -44.79 28.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -60.12 -52.84 63.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.539 ' C ' ' HB1' ' A' ' 90' ' ' ALA . . . -59.99 -28.66 67.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.652 ' O ' HG22 ' A' ' 106' ' ' ILE . 82.1 t80 -82.85 -35.99 25.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.952 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.2 OUTLIER -77.33 -27.39 52.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.165 . . . . 0.0 109.326 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.719 ' HB1' ' CZ ' ' A' ' 94' ' ' PHE . . . -75.47 -35.34 60.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.652 HG22 ' O ' ' A' ' 103' ' ' PHE . 5.8 tt -73.05 -28.02 25.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.615 ' SG ' HD22 ' A' ' 17' ' ' LEU . 35.2 m -73.69 -28.0 61.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 108.307 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -72.04 -8.23 53.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.123 . . . . 0.0 110.289 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.571 HD12 ' HA ' ' A' ' 106' ' ' ILE . 19.6 mt -93.8 -16.73 23.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 112' ' ' GLY . 4.7 mt -113.76 -59.77 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.432 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -44.83 96.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.333 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 124.25 -42.31 1.58 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -69.66 157.57 37.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 0.783 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -134.98 155.0 79.53 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.544 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.5 Cg_endo -74.94 1.03 8.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . 66.04 178.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -106.35 -47.23 3.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 118' ' ' ILE . 10.7 mm -85.06 52.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -144.38 88.33 0.17 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.3 p -145.18 152.84 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 42.7 m -130.65 123.25 28.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 16.1 tttm 59.55 79.45 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -110.5 143.14 41.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.97 149.34 50.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 15.4 m -140.76 93.99 2.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 110.434 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -176.31 -176.96 44.93 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -115.51 142.18 17.42 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -137.91 173.68 11.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.437 ' O ' HG13 ' A' ' 129' ' ' VAL . 8.4 p -97.75 118.23 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -126.57 141.86 51.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.604 ' O ' HD12 ' A' ' 132' ' ' LEU . 4.0 mtt180 177.96 166.55 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 131' ' ' ARG . 0.1 OUTLIER -169.46 169.59 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 10.3 t -98.69 134.01 42.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.41 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -137.12 135.35 37.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 1.9 m -130.45 94.51 3.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.448 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.9 p -103.04 118.6 37.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.977 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.72 101.13 5.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -79.24 130.87 35.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 20.1 m -106.51 138.41 42.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 110.386 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -147.21 116.25 0.83 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.38 129.23 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 0.763 . . . . 0.0 110.045 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -122.5 -63.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.63 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 37.3 tttt 65.8 137.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -162.51 162.44 27.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -134.66 136.69 43.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 36.4 p -178.66 148.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.024 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -176.91 140.21 4.82 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 169.86 21.69 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.458 1.767 . . . . 0.0 111.019 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.93 157.94 18.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.971 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 20.1 t -119.58 133.34 55.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 109.985 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m -73.72 157.14 37.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 0.759 . . . . 0.0 109.953 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.8 p -138.45 171.47 14.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.981 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.45 -170.88 33.69 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.516 1.135 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.09 96.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 0.79 . . . . 0.0 109.987 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.83 103.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.055 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.6 -156.81 7.79 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.31 147.34 28.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.448 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . -128.76 82.75 2.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . 178.39 147.09 0.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.659 ' O ' HG22 ' A' ' 12' ' ' THR . 0.4 OUTLIER -172.41 89.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 110.03 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 11' ' ' SER . 0.6 OUTLIER 87.8 -29.03 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -108.61 145.56 34.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.67 HG21 ' HB2' ' A' ' 17' ' ' LEU . 27.7 mm -42.48 -80.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.485 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 70.63 77.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.45 -20.75 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.537 1.148 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.67 ' HB2' HG21 ' A' ' 14' ' ' ILE . 60.4 tp -59.27 -77.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.248 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.523 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 4.5 tt0 -47.39 -27.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.251 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -71.17 -36.03 71.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 110.315 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.476 ' OG ' HG22 ' A' ' 110' ' ' ILE . 1.1 p -80.7 -46.78 15.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.968 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.466 ' O ' ' N ' ' A' ' 25' ' ' ALA . 32.3 t80 -49.61 -52.81 27.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.425 1.078 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.68 -44.39 37.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.118 . . . . 0.0 110.338 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -57.46 -44.98 85.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.856 ' CD2' HD13 ' A' ' 45' ' ' LEU . 37.3 m-85 -77.04 -22.85 52.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -78.92 -47.17 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.2 pt -90.66 22.16 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.288 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.535 ' CE1' ' HB2' ' A' ' 115' ' ' PRO . 2.9 t-160 -77.49 107.24 9.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.617 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.51 -60.66 0.35 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 110.985 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.12 114.56 49.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.341 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -24.06 13.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' ALA . 3.5 mttm -69.35 -40.13 77.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -39.26 138.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 t -106.05 -5.92 19.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.21 28.57 9.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -115.98 -3.58 12.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 0.741 . . . . 0.0 110.315 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.9 mp0 -140.3 144.94 36.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 32.1 ttm -136.62 116.12 12.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.91 143.9 45.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.584 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -50.47 -36.59 31.07 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -27.75 68.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -91.69 -38.87 12.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.247 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.834 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.7 t-105 -62.78 -69.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.36 -55.02 2.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.9 tttt -56.28 -40.99 75.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.856 HD13 ' CD2' ' A' ' 24' ' ' PHE . 10.4 tp -63.12 -26.95 69.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 70.8 m -79.75 -11.33 59.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.304 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 1.0 OUTLIER -105.19 -49.64 3.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.7 -33.35 64.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.451 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 53.6 m -94.15 16.25 15.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 0.0 108.257 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mptt 45.72 40.69 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 2.1 t -79.47 -38.84 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB3' ' CE ' ' A' ' 47' ' ' LYS . . . -96.81 -174.85 3.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -170.84 -42.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.753 ' O ' HG22 ' A' ' 58' ' ' THR . . . 124.6 -21.47 6.71 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -83.67 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 0.781 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.766 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -62.04 -40.21 94.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.89 121.42 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.753 HG22 ' O ' ' A' ' 54' ' ' GLY . 70.6 p -103.4 140.08 37.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.445 1.091 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.52 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -49.24 -21.37 2.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.5 m -78.53 -29.28 46.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 0.746 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.5 OUTLIER -73.84 -46.06 47.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.834 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.4 p -61.05 -36.59 73.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.95 -39.15 87.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.455 HG22 ' CD ' ' A' ' 68' ' ' LYS . 44.3 mt -71.75 -50.49 38.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.505 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.6 t -54.0 -49.1 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 33.2 t80 -54.86 -27.8 45.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.446 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 1.4 t -89.61 -23.81 21.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' CD ' HG22 ' A' ' 64' ' ' ILE . 12.0 mtpt -75.93 -39.45 56.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 70' ' ' LYS . 14.7 m -71.1 -49.84 46.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.483 ' N ' HG23 ' A' ' 69' ' ' VAL . 5.4 pttp -74.18 176.52 6.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -106.75 169.71 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -10.71 53.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.4 t -98.85 -65.18 0.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.015 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -50.05 148.46 3.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.22 -29.43 8.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.2 m -106.3 178.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.8 pt -130.78 141.32 46.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.465 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.6 OUTLIER -91.98 158.34 16.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.523 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 13.2 t80 -38.97 -62.68 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -49.64 -34.16 17.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 78' ' ' ASN . 50.1 mt-10 -82.66 -21.9 34.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 6.6 t80 -81.07 -25.7 36.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 111.039 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.515 ' HD3' ' CZ ' ' A' ' 79' ' ' TYR . 4.3 mtmt -74.22 -33.14 63.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.6 mttm -56.57 -48.29 77.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.704 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -56.1 -47.99 77.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.758 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 88.7 mt -55.29 -36.31 66.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.452 ' OE2' ' CE ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -69.23 -31.15 69.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.123 . . . . 0.0 110.319 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -84.44 -29.01 26.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.668 HD11 HG23 ' A' ' 62' ' ' VAL . 50.5 mt -99.11 1.46 45.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.165 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.758 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -74.73 -55.93 5.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.5 p -77.04 -20.16 56.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.449 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.766 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 8.8 mtpt -86.21 -15.97 39.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 35.3 tpt85 -97.65 -66.72 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.762 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 67.2 m-85 -78.38 93.0 4.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.522 ' C ' ' O ' ' A' ' 94' ' ' PHE . 8.4 mtmm 29.53 -125.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -124.34 35.08 3.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.531 1.145 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 96' ' ' GLY . 14.5 mttt -54.72 -169.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 0.758 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.16 -175.76 3.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.002 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' CE ' ' OE2' ' A' ' 87' ' ' GLU . 5.6 tttm -78.89 -49.1 13.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.308 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -77.41 -45.27 26.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.66 -51.25 67.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 105' ' ' ALA . . . -58.08 -55.85 29.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.279 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.635 ' O ' HG22 ' A' ' 106' ' ' ILE . 0.6 OUTLIER -54.8 -43.59 73.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.05 -21.8 63.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.762 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -84.94 -30.53 24.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.635 HG22 ' O ' ' A' ' 103' ' ' PHE . 1.8 tt -79.51 -27.38 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.589 ' O ' ' HB3' ' A' ' 111' ' ' ALA . 24.7 m -72.49 -23.42 61.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -82.37 -15.19 53.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 106' ' ' ILE . 65.9 mt -83.99 -29.21 27.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.476 HG22 ' OG ' ' A' ' 20' ' ' SER . 4.9 mt -100.38 -61.81 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -43.59 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 122.51 -44.74 1.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.2 OUTLIER -65.29 172.39 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -146.62 157.35 48.08 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.56 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.4 Cg_endo -74.96 1.51 7.63 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.545 1.813 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.61 -171.76 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 40.33 77.24 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.7 mp -94.96 84.34 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.334 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -141.89 74.14 0.35 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 31.4 m -104.63 -169.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.757 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 19.7 m -144.48 142.1 30.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.409 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 mttp 51.84 94.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -106.23 115.91 31.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.71 113.39 24.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 17.7 m -122.53 122.07 38.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 110.425 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -133.61 -149.2 6.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 96.21 79.14 1.45 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 60.23 160.42 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.757 . . . . 0.0 109.336 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 129' ' ' VAL . 78.4 t -103.11 71.06 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 55.06 95.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 176.93 161.4 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -177.23 -89.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 1.8 t -172.96 125.64 0.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -100.78 168.42 9.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 54.1 m 57.74 93.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.8 t -175.59 92.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.965 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -155.77 71.42 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -128.78 79.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.6 -61.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.155 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 135.65 -168.49 23.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 26.7 p -175.48 85.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 110.019 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.0 m80 -142.21 137.06 30.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.55 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.0 163.69 14.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -101.02 160.09 14.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 146' ' ' SER . 34.9 ttt180 -154.6 145.71 22.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.315 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.404 ' N ' ' HG2' ' A' ' 145' ' ' ARG . 87.3 p -121.87 164.18 17.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 120.79 100.6 1.76 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.427 1.079 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -68.99 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 110.959 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.27 147.82 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.05 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 30.3 t -158.88 139.98 12.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 110.972 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -166.68 169.48 13.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 0.776 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t 66.6 140.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.12 . . . . 0.0 110.006 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.64 -84.77 0.52 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.442 1.089 . . . . 0.0 110.977 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.81 168.64 19.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 0.749 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -95.41 165.55 12.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.9 -146.08 16.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 mtm -155.32 167.99 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -166.18 172.92 10.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.35 169.59 16.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.0 p -162.92 110.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.982 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.7 t -104.7 -44.59 4.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 14' ' ' ILE . 9.0 p-10 -80.18 167.98 19.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' A' ' 17' ' ' LEU . 1.8 mp -39.14 -88.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.701 ' N ' HG22 ' A' ' 14' ' ' ILE . . . 80.34 84.65 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 136.83 -9.86 3.94 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.498 1.124 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.725 ' HB2' HG21 ' A' ' 14' ' ' ILE . 28.9 tp -46.84 -68.55 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.512 ' CG ' ' CE1' ' A' ' 79' ' ' TYR . 0.7 OUTLIER -54.44 -31.44 55.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.04 -54.31 48.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.781 ' OG ' HG22 ' A' ' 110' ' ' ILE . 9.2 p -61.39 -46.69 89.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -49.86 -53.18 27.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.59 -44.92 62.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.259 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 40.9 mttt -55.17 -51.24 67.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.052 ' CD1' HD13 ' A' ' 45' ' ' LEU . 28.4 m-85 -69.14 -31.74 70.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.478 ' HB1' ' O ' ' A' ' 36' ' ' GLU . . . -62.06 -47.58 84.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.491 HG23 ' HA2' ' A' ' 34' ' ' GLY . 10.6 pt -89.44 12.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 20.2 t-80 -39.69 109.25 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.55 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.82 59.61 10.51 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' HB3' ' CB ' ' A' ' 32' ' ' ALA . 2.9 m-20 -161.94 102.94 1.15 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.87 15.4 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.513 1.796 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -84.82 -42.56 15.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 29' ' ' ASP . . . -42.75 126.77 3.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m -77.79 -29.2 50.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.491 ' HA2' HG23 ' A' ' 26' ' ' ILE . . . 98.6 30.07 7.06 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -113.23 -4.96 13.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 0.768 . . . . 0.0 110.343 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 3.5 mt-10 -133.91 150.48 51.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 6.4 ttm -133.25 115.71 15.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' HA ' HG12 ' A' ' 76' ' ' VAL . 1.5 m-20 -74.2 143.6 45.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.648 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.86 -22.41 2.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -76.32 -34.76 59.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 38' ' ' ASN . 98.2 m-20 -87.11 -25.67 24.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.902 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.2 t-105 -71.64 -63.59 1.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.023 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.04 -43.98 67.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -47.04 87.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.052 HD13 ' CD1' ' A' ' 24' ' ' PHE . 16.1 tp -63.23 -28.77 70.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.561 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 24.2 m -92.62 30.8 1.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 108.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -142.32 -54.47 0.43 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -33.62 76.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.0 m -79.67 -1.37 37.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.431 1.082 . . . . 0.0 108.304 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.92 40.49 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.7 t -90.49 -40.19 12.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 46' ' ' CYS . . . -103.32 97.89 7.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -73.25 -32.99 65.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.736 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.79 -24.37 12.07 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.966 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -89.76 -80.12 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.79 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -57.67 -36.61 72.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 t -127.65 119.0 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.736 HG22 ' O ' ' A' ' 54' ' ' GLY . 77.2 p -106.1 141.34 37.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.41 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' HA2' HG12 ' A' ' 62' ' ' VAL . . . -47.77 -21.89 1.7 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.444 1.09 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.659 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -75.13 -28.91 60.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.38 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.7 OUTLIER -79.2 -50.06 11.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.902 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -58.38 -33.56 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -68.15 -48.96 63.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.659 HD12 ' O ' ' A' ' 60' ' ' THR . 16.8 mt -63.2 -46.57 95.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.717 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.9 t -56.34 -49.88 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.648 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 5.3 t80 -57.27 -29.13 63.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -87.93 -23.76 23.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.971 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.98 -29.43 32.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.717 HG13 ' O ' ' A' ' 65' ' ' VAL . 12.1 m -82.31 -33.75 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' HB3' ' CG2' ' A' ' 77' ' ' ILE . 0.1 OUTLIER -87.96 167.97 13.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 72' ' ' LYS . . . -103.17 141.11 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 71' ' ' ALA . 21.9 tttm -39.84 -37.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -70.93 -58.49 3.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.008 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.72 145.76 55.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.28 -23.3 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.496 HG12 ' HA ' ' A' ' 38' ' ' ASN . 1.2 m -108.34 174.23 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 70' ' ' LYS . 2.8 pt -125.02 150.9 30.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.491 ' OD1' ' CG ' ' A' ' 81' ' ' GLU . 8.4 p30 -105.13 159.34 15.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' CE1' ' CG ' ' A' ' 18' ' ' GLU . 16.7 t80 -38.35 -54.39 1.44 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -48.79 -41.94 34.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.249 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.491 ' CG ' ' OD1' ' A' ' 78' ' ' ASN . 67.6 mt-10 -74.63 -37.28 62.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.532 ' CE2' HD11 ' A' ' 86' ' ' LEU . 68.9 t80 -57.37 -33.09 67.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 79' ' ' TYR . 3.1 mtmt -77.7 -26.37 50.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.72 -42.24 77.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.152 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.667 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -71.8 -41.16 68.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.532 HD11 ' CE2' ' A' ' 82' ' ' PHE . 16.0 mt -57.64 -43.19 84.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.546 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.7 mt-10 -60.65 -46.02 91.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -64.62 -28.59 69.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.832 HD11 HG23 ' A' ' 62' ' ' VAL . 62.6 mt -99.52 2.52 44.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.467 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -75.46 -57.48 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.8 p -77.9 -30.31 50.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.351 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.79 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 11.3 mtpt -70.57 -29.55 66.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.504 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 41.3 tpt85 -87.71 -62.34 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.942 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 52.5 m-85 -78.88 89.19 4.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.528 ' C ' ' O ' ' A' ' 94' ' ' PHE . 1.8 pttt 28.75 -99.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 94' ' ' PHE . . . -150.31 37.32 0.92 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.497 ' CG ' ' HE3' ' A' ' 95' ' ' LYS . 13.7 mttt -54.6 -169.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 0.749 . . . . 0.0 109.351 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.0 m -82.8 164.43 20.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.994 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -58.99 -43.38 91.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -76.19 -53.01 8.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 0.0 110.268 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.27 -52.66 63.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -53.98 -49.17 69.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.546 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 56.9 t80 -65.32 -38.53 90.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -21.31 63.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.942 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -85.44 -34.49 21.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.502 ' HA ' HD12 ' A' ' 109' ' ' LEU . 3.2 tt -80.38 -32.5 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.467 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 89.4 m -69.82 -31.91 70.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 108.272 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -73.98 -19.05 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 106' ' ' ILE . 65.3 mt -75.58 -44.49 42.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.781 HG22 ' OG ' ' A' ' 20' ' ' SER . 5.3 mt -83.11 -68.7 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.59 ' CB ' HG23 ' A' ' 14' ' ' ILE . . . -39.94 117.23 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 108.12 -37.81 3.63 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.12 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -75.01 175.2 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.763 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -141.25 154.6 67.7 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.569 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.05 1.54 7.65 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.5 1.79 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -42.05 162.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -58.98 -51.97 67.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.6 -160.02 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 163.95 140.69 2.93 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.582 ' O ' HG23 ' A' ' 120' ' ' VAL . 32.6 m -59.29 101.03 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.554 0.796 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.9 t -171.64 147.84 2.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.68 108.5 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -171.89 148.63 2.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.73 -69.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 5.6 m 44.27 83.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.408 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -137.67 162.07 25.46 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 124.74 82.77 0.53 Allowed Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -175.22 171.9 2.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 60.5 t 58.65 83.71 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -70.47 160.04 33.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 132' ' ' LEU . 0.0 OUTLIER -147.29 162.61 38.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 110.31 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.576 HD12 ' O ' ' A' ' 131' ' ' ARG . 0.2 OUTLIER -177.34 160.42 1.67 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 22.1 m -121.61 138.69 54.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.8 169.84 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.464 HG22 ' O ' ' A' ' 135' ' ' THR . 3.1 m -155.14 75.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 110.356 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 48.9 m -50.49 -57.19 8.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.04 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.44 131.0 48.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.19 -50.58 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 1.156 . . . . 0.0 111.014 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 10.2 p -133.77 -57.36 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 110.427 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 112.44 -138.36 14.92 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.91 150.39 28.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 110.009 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 29.5 p-80 -91.76 105.16 17.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.629 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.18 142.98 2.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -161.56 141.84 10.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.19 96.16 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.9 p -117.22 165.87 12.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -141.74 -150.67 5.4 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 130.01 12.89 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.576 1.829 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 17.0 m -115.57 -59.74 1.96 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.4 m 64.03 150.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.44 154.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 0.769 . . . . 0.0 109.967 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -44.98 -58.57 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.27 -90.84 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.573 1.17 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -161.63 164.81 29.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 110.028 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.96 -58.46 1.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 109.964 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.45 -120.22 0.94 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.74 151.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 110.982 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -171.0 118.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.1 161.51 28.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.96 100.51 2.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 110.04 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -66.39 -78.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -148.69 -50.72 0.16 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.538 ' CG2' ' CB ' ' A' ' 111' ' ' ALA . 21.5 mm -81.51 -70.39 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 73.13 71.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.405 ' C ' ' HA ' ' A' ' 111' ' ' ALA . . . 161.02 -26.26 0.27 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.652 HD22 ' SG ' ' A' ' 107' ' ' CYS . 54.9 tp -59.01 -78.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 21.3 tt0 -47.2 -24.58 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.456 1.097 . . . . 0.0 110.318 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -69.61 -48.15 61.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.329 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -38.13 66.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 25' ' ' ALA . 32.1 t80 -51.5 -57.14 9.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.571 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -50.28 -45.81 54.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.1 mttt -49.62 -50.59 42.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.731 ' CD1' HD13 ' A' ' 45' ' ' LEU . 40.9 m-85 -77.69 -24.48 49.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.571 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -73.12 -38.52 66.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.661 HG22 ' HB1' ' A' ' 32' ' ' ALA . 3.7 pt -83.88 8.64 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -75.71 121.56 22.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.662 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.04 -64.42 0.85 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.21 140.53 2.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -46.4 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' O ' ' O ' ' A' ' 32' ' ' ALA . 5.0 mttt -93.92 -41.01 9.83 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.661 ' HB1' HG22 ' A' ' 26' ' ' ILE . . . 58.53 145.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.303 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -120.5 -13.05 8.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 68.36 21.77 74.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -129.74 6.1 5.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 0.792 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.546 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 3.2 mp0 -137.17 141.79 42.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.657 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 35.7 ttm -137.26 116.25 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.6 OUTLIER -73.86 144.41 45.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -47.66 -37.66 14.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.22 -30.68 71.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 38' ' ' ASN . 83.2 m-20 -89.8 -36.93 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.261 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.907 ' NE1' HG22 ' A' ' 62' ' ' VAL . 4.7 t-105 -62.47 -48.87 77.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 107.998 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.452 ' O ' ' SG ' ' A' ' 46' ' ' CYS . . . -66.68 -54.83 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.76 -28.67 16.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.731 HD13 ' CD1' ' A' ' 24' ' ' PHE . 12.6 tp -78.33 -27.32 47.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' VAL . 1.0 OUTLIER -80.57 -10.83 59.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 108.279 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -104.86 -44.45 4.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.84 -36.98 82.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' CB ' ' A' ' 113' ' ' LYS . 50.5 m -87.29 -12.23 47.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 108.299 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.431 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 0.6 OUTLIER 72.08 41.49 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.6 t -84.2 -41.6 16.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.274 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HA ' ' CG1' ' A' ' 57' ' ' VAL . . . -94.21 66.6 3.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 3.5 p-10 -40.61 -31.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.556 ' O ' HG22 ' A' ' 58' ' ' THR . . . 106.17 -20.98 34.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 mmtm -84.11 -83.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 0.0 109.266 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.845 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -66.15 -26.71 67.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 52' ' ' ALA . 7.1 t -128.01 119.67 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.556 HG22 ' O ' ' A' ' 54' ' ' GLY . 25.2 p -108.25 142.0 39.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.401 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.438 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -48.12 -21.53 1.82 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.486 ' O ' HD12 ' A' ' 64' ' ' ILE . 0.9 OUTLIER -74.88 -27.27 60.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 110.35 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -79.58 -49.83 11.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.907 HG22 ' NE1' ' A' ' 42' ' ' TRP . 3.8 p -56.82 -36.39 49.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.16 -39.51 82.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.134 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.667 HG22 ' HD2' ' A' ' 68' ' ' LYS . 41.6 mt -70.87 -50.87 40.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.4 t -56.11 -48.35 79.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.569 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 32.5 t80 -54.4 -27.24 35.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.48 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -86.98 -22.97 25.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.667 ' HD2' HG22 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -80.13 -39.72 28.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 65' ' ' VAL . 11.6 m -68.6 -28.09 38.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.48 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 26.5 pttt -102.84 179.43 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' A' ' 70' ' ' LYS . . . -107.32 -175.51 2.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -81.9 -4.61 56.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.58 -76.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -41.08 148.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -114.41 -7.98 12.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.63 170.66 17.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.9 pt -124.21 152.66 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER -102.85 158.18 16.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 14.1 t80 -38.44 -38.49 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 111.001 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -65.41 -48.89 71.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' ASN . 96.0 mt-10 -72.71 -17.04 61.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.443 ' HE1' HD23 ' A' ' 45' ' ' LEU . 32.6 t80 -80.76 -37.7 29.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -73.35 -26.91 61.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -62.47 -48.38 79.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.585 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -60.09 -44.35 94.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.725 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 60.9 mt -55.39 -34.2 64.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.575 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.2 mt-10 -69.63 -41.94 74.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -73.48 -27.68 61.52 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.662 ' CD1' HG23 ' A' ' 62' ' ' VAL . 57.8 mt -97.62 -4.59 37.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 86' ' ' LEU . . . -72.67 -55.91 6.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.3 p -73.73 -20.96 60.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.845 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 18.6 mtpt -86.32 -25.05 25.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.513 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 10.1 tpt180 -83.18 -65.03 1.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.911 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.0 m-85 -76.56 178.67 6.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.447 ' HE2' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -60.99 -137.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -98.72 27.87 17.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.447 ' HG3' ' HE2' ' A' ' 95' ' ' LYS . 10.5 mttm -51.23 179.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 0.765 . . . . 0.0 109.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 64.1 m -80.06 155.34 27.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -50.7 -43.14 57.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.256 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -75.25 -50.78 15.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.34 -52.0 64.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.95 -46.18 82.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.575 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 82.9 t80 -63.05 -40.87 98.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.11 -23.66 62.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.911 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -78.37 -40.42 36.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.609 ' HA ' HD12 ' A' ' 109' ' ' LEU . 8.9 tt -74.85 -28.39 21.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.652 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.3 m -69.57 -29.21 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -76.81 -11.8 59.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 106' ' ' ILE . 72.7 mt -85.32 -19.24 31.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.6 mt -112.24 -49.06 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.538 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -47.57 96.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.57 1.169 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 110' ' ' ILE . . . 122.07 -36.52 3.17 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.539 1.149 . . . . 0.0 111.015 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.48 ' CB ' ' SG ' ' A' ' 49' ' ' CYS . 0.9 OUTLIER -58.48 168.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 0.766 . . . . 0.0 109.307 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -160.59 144.67 10.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 110.287 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -47.64 170.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -65.84 -60.77 2.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 5.2 mm -81.06 78.68 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.94 60.77 0.6 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.485 ' O ' HG23 ' A' ' 120' ' ' VAL . 33.1 m -98.86 111.89 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.544 0.791 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.5 t -101.71 155.04 18.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 110.382 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -90.49 153.25 20.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -88.34 176.83 7.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.4 mttp -168.12 133.15 1.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 19.9 m 63.55 146.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -88.33 -115.27 1.25 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.488 1.117 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.23 -157.91 28.9 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -117.64 171.32 8.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 129' ' ' VAL . 9.5 p -100.09 110.38 27.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.345 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -144.82 142.26 29.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.405 ' O ' ' CB ' ' A' ' 132' ' ' LEU . 1.3 mtt180 -174.18 169.4 3.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.251 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.903 HD13 ' O ' ' A' ' 132' ' ' LEU . 0.0 OUTLIER 170.87 109.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.158 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.662 ' N ' HD22 ' A' ' 132' ' ' LEU . 7.0 t -146.97 157.64 43.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.414 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -178.54 103.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.0 m -142.02 101.76 4.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.392 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 93.9 p -97.51 87.32 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.013 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -45.86 168.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -110.96 169.49 8.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.971 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.0 t -115.77 147.52 40.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -72.21 157.06 52.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.7 t -152.9 158.05 41.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 0.787 . . . . 0.0 109.961 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -83.4 152.87 24.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.585 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.45 168.24 11.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -100.85 112.54 24.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -97.81 166.98 11.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 53.3 p -174.77 133.18 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 110.033 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -158.11 153.68 24.84 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.56 1.163 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -56.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.477 1.777 . . . . 0.0 110.98 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 20.2 m 68.53 110.01 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.035 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.6 m -108.1 171.93 7.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.456 1.098 . . . . 0.0 110.018 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.74 153.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.25 136.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.02 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.17 127.82 5.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.498 1.123 . . . . 0.0 111.023 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t 179.97 -58.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -46.79 150.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.41 -152.52 6.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.4 mtt -89.02 149.61 23.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 0.791 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -176.59 153.74 1.16 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -82.2 176.21 9.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.7 p -101.66 65.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.3 m -94.47 -54.8 3.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.387 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -110.09 172.51 6.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.652 HG22 ' H ' ' A' ' 15' ' ' ALA . 1.1 mm -103.58 -157.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.652 ' H ' HG22 ' A' ' 14' ' ' ILE . . . -179.03 77.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.39 -15.0 2.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.9 tp -49.61 -74.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 109.324 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.8 tt0 -47.08 -36.31 8.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -59.98 -45.8 91.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.696 ' HB2' HG22 ' A' ' 110' ' ' ILE . 16.0 m -65.6 -50.26 65.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.034 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 25' ' ' ALA . 24.2 t80 -50.15 -52.62 33.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -49.46 -44.89 46.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.318 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -56.34 -55.18 36.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.866 ' CD1' HD13 ' A' ' 45' ' ' LEU . 40.1 m-85 -66.36 -27.27 67.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -74.06 -47.53 36.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.48 ' HA ' ' CB ' ' A' ' 32' ' ' ALA . 2.4 pt -89.7 9.36 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -42.17 114.0 0.51 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.61 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.11 -62.06 3.38 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.404 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 2.5 m-20 -48.36 108.92 1.01 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.471 0.748 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -27.37 10.03 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.481 1.779 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -77.78 -39.52 43.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 26' ' ' ILE . . . -40.15 130.66 2.14 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 57.5 m -94.78 -18.11 21.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.003 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.42 23.61 12.3 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.461 1.101 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -100.57 -9.66 21.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 110.276 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.8 mt-10 -138.6 147.55 43.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.406 ' CE ' ' HB3' ' A' ' 24' ' ' PHE . 6.9 ttm -135.66 124.02 23.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 41' ' ' ASN . 2.8 p30 -79.33 143.47 35.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.615 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -52.66 -19.51 6.63 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -73.64 -36.58 65.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 26.6 m-20 -87.54 -38.28 16.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.93 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.6 t-105 -56.67 -61.05 2.7 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.59 -51.82 52.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -55.8 -40.27 72.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.866 HD13 ' CD1' ' A' ' 24' ' ' PHE . 12.3 tp -65.75 -27.65 68.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.122 . . . . 0.0 109.243 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 52' ' ' ALA . 56.2 m -88.43 11.25 17.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 108.301 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.647 ' CE ' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -125.0 -44.04 1.94 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.327 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -29.49 67.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 66.7 m -90.98 16.08 10.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.318 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.19 43.65 22.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.486 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 1.8 t -88.09 -40.35 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.647 ' HB3' ' CE ' ' A' ' 47' ' ' LYS . . . -107.17 91.27 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -63.43 -36.58 84.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.427 1.079 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.576 ' O ' HG22 ' A' ' 58' ' ' THR . . . 117.75 -34.58 4.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -80.77 -79.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 0.722 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.17 -40.28 67.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.843 HG13 ' CG ' ' A' ' 61' ' ' ASP . 7.2 t -127.24 141.79 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 54' ' ' GLY . 22.4 p -120.21 143.52 48.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.673 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -44.41 -23.83 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.403 ' N ' ' C ' ' A' ' 58' ' ' THR . 19.5 m -73.49 -24.72 60.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 0.781 . . . . 0.0 110.419 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.999 ' OD2' HD22 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -74.4 -39.51 62.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.09 . . . . 0.0 109.265 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.93 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.9 p -73.19 -32.39 38.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -47.77 65.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.2 mt -61.73 -52.3 62.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.578 HG22 ' HE3' ' A' ' 68' ' ' LYS . 6.6 t -55.61 -46.0 79.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.306 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.615 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 35.7 t80 -60.41 -28.7 68.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.431 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.2 OUTLIER -95.85 -2.25 47.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.578 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.2 OUTLIER -99.68 -29.0 12.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 65' ' ' VAL . 16.5 m -83.05 -45.4 18.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.431 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.0 pttt -72.1 -167.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -128.08 155.4 44.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -21.41 4.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 t -88.12 -61.91 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.982 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.13 147.53 39.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -114.59 -26.74 7.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.3 m -104.39 162.59 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.6 pt -115.76 156.32 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.411 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.4 OUTLIER -112.02 156.68 21.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.113 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -37.9 -47.27 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -55.04 -48.91 72.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' ASN . 44.7 mm-40 -73.33 -43.55 60.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.649 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 20.1 t80 -54.02 -49.17 69.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -64.23 -26.97 68.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.259 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -45.84 79.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.498 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -60.48 -46.95 88.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 79.2 mt -54.2 -39.15 66.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.595 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 9.1 mm-40 -63.64 -36.8 85.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -74.04 -29.72 62.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.999 HD22 ' OD2' ' A' ' 61' ' ' ASP . 15.8 mt -94.9 -5.98 43.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -61.99 -54.55 40.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.42 ' O ' ' O ' ' A' ' 95' ' ' LYS . 11.6 p -76.24 -46.17 29.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.397 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -56.19 -20.53 18.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 31.3 tpt85 -98.82 -53.33 3.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.916 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 79.0 m-85 -94.01 96.02 9.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.587 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 24.95 -118.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -132.12 34.32 2.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.435 1.084 . . . . 0.0 111.004 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 96' ' ' GLY . 23.8 mttt -53.56 -172.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 0.75 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.6 p -83.78 163.92 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 10.5 tttt -57.42 -41.62 80.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -75.64 -52.25 10.97 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -55.17 -51.71 65.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.582 1.176 . . . . 0.0 110.326 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.446 ' HB1' ' C ' ' A' ' 90' ' ' ALA . . . -58.39 -57.01 14.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.595 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 71.4 t80 -55.31 -40.76 71.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.73 -27.83 69.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.916 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -80.31 -57.22 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.564 ' HA ' HD12 ' A' ' 109' ' ' LEU . 6.0 tt -55.16 -37.8 44.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 37.0 m -65.38 -39.92 92.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 108.29 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -62.75 -25.58 68.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.564 HD12 ' HA ' ' A' ' 106' ' ' ILE . 64.4 mt -72.16 -34.45 68.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.696 HG22 ' HB2' ' A' ' 20' ' ' SER . 9.0 mt -88.87 -65.72 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -39.73 117.34 0.73 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.59 -42.22 1.96 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.446 1.091 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.4 mttm -71.28 150.13 45.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 0.737 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -125.12 158.52 63.15 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.577 ' HB3' ' CD2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.0 1.53 7.64 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -133.69 -171.74 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 166.53 126.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.772 ' O ' HD12 ' A' ' 118' ' ' ILE . 2.1 pp -82.87 87.05 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -166.11 -84.39 0.05 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.514 ' O ' HG12 ' A' ' 120' ' ' VAL . 42.3 t -130.95 43.12 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.323 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.9 t -89.02 18.39 4.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 6.6 mttt 67.15 101.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.89 80.91 5.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.14 -69.49 0.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 9.5 t -91.93 139.98 30.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 110.43 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 159.28 105.57 0.21 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 126.75 111.34 1.72 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -178.71 133.62 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 0.727 . . . . 0.0 109.351 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.27 123.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.43 94.04 2.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.423 ' O ' ' HB3' ' A' ' 132' ' ' LEU . 0.1 OUTLIER -178.2 -69.17 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.423 ' HB3' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER 70.67 -65.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 133' ' ' THR . 4.0 m 41.2 65.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.378 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -55.47 143.59 28.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 97.3 m -135.37 67.97 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.421 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 31.1 m -52.02 106.52 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.13 176.99 9.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -82.1 -51.36 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.3 m 52.16 93.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.391 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -119.11 158.47 14.9 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.87 164.21 18.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 0.758 . . . . 0.0 110.005 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -149.31 126.97 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.598 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.88 153.84 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.26 145.94 29.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.77 163.67 12.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 39.5 p -103.69 169.24 8.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.036 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -131.01 173.06 20.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.24 16.74 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.451 1.764 . . . . 0.0 111.055 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 69.0 p -114.76 158.68 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -88.64 168.35 12.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.91 -58.47 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.764 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.09 137.81 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.11 -133.31 1.34 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.2 p 48.05 94.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.78 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.91 170.26 16.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.6 139.58 2.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.1 mtt -139.39 157.19 46.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . -131.21 95.96 3.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.408 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -179.76 175.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 12' ' ' THR . 7.9 t 64.95 87.12 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' SER . 8.5 t -38.6 -37.59 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -105.82 151.71 24.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.509 HG21 ' HB2' ' A' ' 17' ' ' LEU . 46.5 mm -58.66 -70.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 65.0 75.34 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.259 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.36 -23.94 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.485 1.115 . . . . 0.0 111.039 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.509 ' HB2' HG21 ' A' ' 14' ' ' ILE . 56.9 tp -58.32 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 0.769 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 15.6 tt0 -47.34 -30.31 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.171 . . . . 0.0 110.296 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -68.35 -46.56 69.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.9 m -68.98 -43.7 74.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' ALA . 24.3 t80 -50.06 -54.33 21.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.442 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -52.71 -44.3 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.453 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 28.0 mttt -52.09 -56.2 15.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.653 ' CD1' HD13 ' A' ' 45' ' ' LEU . 41.4 m-85 -70.47 -27.23 64.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -68.34 -47.45 67.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 pt -89.64 16.35 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.21 107.42 0.21 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.617 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.02 61.12 5.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.159 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -170.96 108.11 0.41 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.774 . . . . 0.0 109.325 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -22.03 15.28 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.522 1.801 . . . . 0.0 110.979 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -84.84 -46.38 11.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.01 132.98 2.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.65 -20.14 17.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 103.61 28.81 5.85 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -102.91 -10.43 19.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 0.754 . . . . 0.0 110.26 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 77' ' ' ILE . 3.5 mt-10 -136.73 148.54 47.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.519 ' HE1' ' HB3' ' A' ' 24' ' ' PHE . 23.9 ttm -136.69 121.33 18.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.51 143.93 46.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.582 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -48.99 -35.62 18.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.566 1.166 . . . . 0.0 110.988 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -62.9 -34.41 77.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 0.758 . . . . 0.0 109.356 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -84.49 -35.99 22.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.87 ' NE1' HG22 ' A' ' 62' ' ' VAL . 7.5 t-105 -62.64 -60.22 3.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 108.025 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.74 70.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.158 . . . . 0.0 109.284 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -55.19 -52.87 61.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.653 HD13 ' CD1' ' A' ' 24' ' ' PHE . 7.1 tp -47.75 -42.4 25.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.461 ' O ' HG23 ' A' ' 51' ' ' VAL . 53.5 m -62.5 -60.35 3.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.081 . . . . 0.0 108.265 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 50' ' ' LYS . 39.1 tttt -46.06 -59.8 2.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.7 -33.46 60.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.519 ' SG ' HD12 ' A' ' 45' ' ' LEU . 41.0 m -90.19 16.01 9.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.283 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 47' ' ' LYS . 1.6 mptp? 41.07 41.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.478 HG23 ' HB2' ' A' ' 49' ' ' CYS . 3.5 t -88.89 -39.37 12.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -101.82 87.94 3.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' OD2' ' NE ' ' A' ' 93' ' ' ARG . 0.1 OUTLIER -73.88 -27.54 61.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 1.002 ' O ' HG22 ' A' ' 58' ' ' THR . . . 111.64 -36.01 4.41 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.533 1.145 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt -76.64 -78.05 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 0.776 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.64 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -62.08 -35.36 78.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.36 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 54' ' ' GLY . 11.3 t -131.38 119.37 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 1.002 HG22 ' O ' ' A' ' 54' ' ' GLY . 52.3 p -103.27 140.95 36.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.434 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.91 -22.16 1.92 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.451 1.094 . . . . 0.0 110.972 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.3 m -77.62 -32.61 53.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 0.794 . . . . 0.0 110.389 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.3 OUTLIER -73.27 -46.98 46.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.3 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.87 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -60.76 -37.26 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -64.78 -48.19 75.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.8 mt -61.51 -50.85 78.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.712 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.2 t -54.85 -49.22 71.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.582 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 13.6 t80 -55.87 -30.9 62.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.482 ' HA ' ' CE ' ' A' ' 70' ' ' LYS . 3.0 t -89.18 -10.22 47.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.56 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -95.89 -21.78 17.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' ' 65' ' ' VAL . 10.5 m -88.34 -33.44 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' HB3' HG22 ' A' ' 77' ' ' ILE . 9.7 pttt -82.05 -176.65 6.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.64 -154.45 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -76.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.97 -72.79 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.98 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 47.43 -137.47 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 168.24 -29.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.69 164.35 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.533 HG22 ' HB3' ' A' ' 70' ' ' LYS . 2.2 pt -127.4 155.85 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -101.4 159.24 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.4 t80 -44.42 -48.26 9.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.965 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -54.44 -48.74 71.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.253 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -71.14 -37.92 72.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.411 ' HB2' HD12 ' A' ' 77' ' ' ILE . 16.8 t80 -56.45 -51.08 69.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -64.56 -26.37 68.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -41.43 97.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.254 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.514 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -67.75 -42.8 81.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 90' ' ' ALA . 32.7 mt -55.1 -45.25 75.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.574 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 2.4 mm-40 -57.49 -41.34 80.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 58.4 mm-40 -70.61 -32.54 69.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.279 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.788 HD11 HG23 ' A' ' 62' ' ' VAL . 62.8 mt -91.38 -0.09 57.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.24 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -77.06 -52.39 9.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.6 p -76.97 -23.74 52.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.419 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.64 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 8.7 mtpp -82.25 -28.91 31.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 5.8 tpt180 -83.43 -65.8 0.97 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 110.244 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.947 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 69.0 m-85 -75.97 176.88 7.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -60.12 -148.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -86.06 20.93 18.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.45 1.094 . . . . 0.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 96' ' ' GLY . 20.4 mttt -46.41 172.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.43 ' OG ' ' HB2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -78.89 155.52 29.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 110.007 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 tttm -48.54 -46.9 39.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.54 -50.31 46.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.43 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 8.2 mm-40 -55.79 -51.57 66.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.85 -52.31 66.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.574 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 67.9 t80 -55.66 -42.59 75.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -22.63 62.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.947 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -81.48 -40.45 23.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.877 ' HA ' HD12 ' A' ' 109' ' ' LEU . 8.3 tt -76.31 -30.53 19.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.446 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.1 m -69.48 -34.23 74.05 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.13 . . . . 0.0 108.337 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -64.77 -19.77 65.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.133 . . . . 0.0 110.328 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 106' ' ' ILE . 13.1 mt -77.92 -40.13 40.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' ALA . 4.9 mt -88.89 -66.57 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.346 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.429 ' CB ' ' CG2' ' A' ' 14' ' ' ILE . . . -39.32 109.35 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 115.99 -40.87 2.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 110' ' ' ILE . 0.6 OUTLIER -69.89 169.72 12.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 109.303 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 1.4 pm0 -151.56 149.65 24.67 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.47 ' O ' ' HB2' ' A' ' 116' ' ' ALA . 18.3 Cg_endo -75.01 1.22 7.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 117' ' ' ASN . . . 176.94 159.83 0.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 116' ' ' ALA . 7.4 t-20 81.38 54.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.451 HD12 ' N ' ' A' ' 118' ' ' ILE . 5.2 mp -100.08 98.02 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -62.06 -82.15 0.08 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 11.5 p -139.44 144.15 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 0.785 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 6.3 t -133.82 115.75 14.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 110.433 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -96.03 152.1 18.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -166.48 123.12 1.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.25 62.38 0.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 125' ' ' THR . 14.8 t -157.94 105.5 1.97 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 110.427 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -152.96 -154.88 6.88 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 139.8 174.16 13.58 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -54.14 125.34 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.783 . . . . 0.0 109.269 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.6 p -131.81 132.99 61.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -105.18 168.49 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 170.41 175.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.2 tp 175.0 -60.48 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 2.4 m 55.24 105.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.79 167.34 9.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 3.3 m 59.55 107.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.353 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 95.6 p -163.98 105.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.034 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp -43.21 149.78 0.22 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.349 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -96.06 167.48 11.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.1 t -70.99 139.64 50.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.444 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 156.39 79.36 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.58 161.87 41.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 0.741 . . . . 0.0 109.957 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -166.19 135.86 3.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.595 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.58 111.74 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -84.72 62.08 7.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -94.38 145.76 24.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.343 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 79.3 p -149.63 146.17 27.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -147.07 71.73 0.32 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 93.0 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 6.2 t -80.87 97.48 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.3 p -51.12 148.52 4.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.145 . . . . 0.0 111.012 -179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m 55.87 98.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.015 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.7 p -90.66 160.76 15.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.982 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.69 149.02 18.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.568 1.168 . . . . 0.0 111.032 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.402 ' O ' ' CB ' ' A' ' 6' ' ' SER . 81.1 p -77.72 175.4 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 0.736 . . . . 0.0 110.032 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 5' ' ' SER . 1.5 m 166.65 121.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.33 35.6 0.17 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.438 1.086 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 19.5 mtm -95.47 149.82 20.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 8' ' ' MET . . . 177.09 122.63 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.359 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -121.8 178.08 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.72 58.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.46 -70.07 0.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.413 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t70 176.22 177.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 18.7 mm -88.68 -76.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 67.87 68.1 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 166.78 -29.8 0.19 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.797 HD22 ' SG ' ' A' ' 107' ' ' CYS . 15.4 tp -52.48 -73.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.793 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.551 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 29.7 tt0 -47.6 -25.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -76.52 -36.94 57.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.729 ' HB3' HG22 ' A' ' 110' ' ' ILE . 0.4 OUTLIER -77.17 -43.38 34.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -49.92 -53.59 25.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.91 -45.72 51.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 115' ' ' PRO . 25.1 mttt -54.23 -55.94 23.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 1.061 ' CD2' HD13 ' A' ' 45' ' ' LEU . 44.1 m-85 -66.4 -24.56 66.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.475 ' CA ' ' HE3' ' A' ' 37' ' ' MET . . . -75.86 -47.38 25.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 27' ' ' HIS . 4.0 pt -90.42 9.85 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 26' ' ' ILE . 6.7 t-80 -39.16 102.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.573 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.81 -58.76 4.02 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -48.67 105.82 0.54 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.359 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -21.6 15.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.778 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 32' ' ' ALA . 10.0 tttt -85.57 -43.53 13.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 31' ' ' LYS . . . -40.13 131.77 1.99 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 55.2 m -95.43 -6.82 39.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.13 33.97 8.49 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.494 1.122 . . . . 0.0 111.028 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -107.77 -4.54 18.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 0.733 . . . . 0.0 110.314 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.42 146.52 38.41 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.311 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.475 ' HE3' ' CA ' ' A' ' 25' ' ' ALA . 23.5 ttm -137.56 116.27 12.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -73.22 143.57 47.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.649 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -48.37 -28.78 6.67 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.84 -42.12 67.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -79.9 -17.19 53.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.832 ' NE1' HG22 ' A' ' 62' ' ' VAL . 2.6 t-105 -80.62 -53.88 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 108.059 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.71 68.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.438 ' C ' ' CD ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -54.35 -37.83 65.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.061 HD13 ' CD2' ' A' ' 24' ' ' PHE . 10.5 tp -68.46 -26.59 65.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.512 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 57.2 m -94.61 24.08 4.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 108.285 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -132.38 -62.19 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.01 -40.05 75.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.534 ' SG ' ' CZ ' ' A' ' 24' ' ' PHE . 64.9 m -70.62 -6.81 39.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 108.358 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? 69.94 43.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.489 HG13 HG13 ' A' ' 106' ' ' ILE . 2.1 t -91.68 -41.12 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 46' ' ' CYS . . . -96.88 178.09 5.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -159.37 -44.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.853 ' O ' HG22 ' A' ' 58' ' ' THR . . . 123.21 -21.96 7.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -84.97 -77.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 0.735 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.13 -45.97 72.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.1 t -121.45 118.36 55.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.853 HG22 ' O ' ' A' ' 54' ' ' GLY . 45.4 p -103.63 141.86 35.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.441 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.405 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.56 -22.04 1.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.425 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.4 m -79.2 -32.14 43.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 0.756 . . . . 0.0 110.41 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.9 m-20 -72.54 -45.59 58.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.855 HG23 HD11 ' A' ' 89' ' ' LEU . 9.6 p -62.5 -43.88 98.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.11 -44.2 74.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 60' ' ' THR . 23.6 mt -67.31 -45.69 85.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.517 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 4.8 t -56.28 -43.31 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.649 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 10.2 t80 -62.7 -33.78 75.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 t -90.01 -4.6 57.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.437 1.086 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.496 ' CE ' HG22 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -94.17 -20.98 19.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.5 m -96.71 -24.65 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.88 -179.54 4.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.439 ' C ' ' N ' ' A' ' 73' ' ' SER . . . -120.43 147.65 44.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.5 ttmt -40.89 -29.32 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 71' ' ' ALA . 2.9 t -72.27 -69.25 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.962 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.0 148.81 10.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.14 -8.03 11.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.328 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.1 m -129.45 173.44 13.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.783 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.7 pt -127.52 155.28 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -106.07 160.16 15.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 21.3 t80 -48.21 -22.37 0.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.29 -48.15 24.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -81.75 -24.36 36.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.783 ' HB2' HD12 ' A' ' 77' ' ' ILE . 7.4 t80 -72.49 -26.8 61.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -77.42 -28.2 52.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 27.4 mttt -67.91 -47.08 69.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.564 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -54.7 -48.35 72.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.599 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 96.7 mt -54.71 -43.77 72.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.598 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 3.6 mt-10 -57.55 -35.05 69.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 92' ' ' LYS . 63.6 mm-40 -74.5 -32.65 62.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.344 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.855 HD11 HG23 ' A' ' 62' ' ' VAL . 47.2 mt -92.02 -2.34 56.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.455 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -78.8 -57.18 3.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 95' ' ' LYS . 25.6 p -77.68 -19.37 55.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 88' ' ' GLU . 30.6 mtpt -83.79 -26.96 29.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 31.4 tpt85 -93.03 -64.81 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.953 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 87.1 m-85 -76.58 93.78 3.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.564 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 25.56 -121.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -130.24 32.99 3.0 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.45 ' HD2' ' CE ' ' A' ' 95' ' ' LYS . 21.0 mttt -51.14 -177.52 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 0.746 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 p -73.56 171.18 13.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.025 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 27.6 tttt -64.06 -45.82 87.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -76.69 -45.35 29.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.58 -51.53 66.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.267 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.15 -52.88 63.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.598 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 31.0 t80 -56.68 -38.76 72.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 1.168 . . . . 0.0 111.049 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.445 ' O ' ' CG ' ' A' ' 108' ' ' GLN . 0.1 OUTLIER -65.08 -21.92 66.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.953 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -86.34 -52.3 5.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.516 ' HA ' ' CD2' ' A' ' 109' ' ' LEU . 5.1 tt -57.74 -40.8 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.797 ' SG ' HD22 ' A' ' 17' ' ' LEU . 3.8 m -57.75 -44.69 86.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 108.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.445 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 3.0 mm-40 -49.83 -49.97 46.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.342 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.516 ' CD2' ' HA ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -47.14 -45.07 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.729 HG22 ' HB3' ' A' ' 20' ' ' SER . 3.0 mt -85.69 -73.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 107' ' ' CYS . . . -37.12 121.0 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 100.59 -37.15 3.71 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -78.25 -173.86 3.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 0.798 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -156.26 158.12 31.41 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.579 ' HB3' ' CD1' ' A' ' 24' ' ' PHE . 18.2 Cg_endo -75.01 1.66 7.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 110.972 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.73 -170.18 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -100.73 80.71 2.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.748 HD13 ' H ' ' A' ' 118' ' ' ILE . 0.3 OUTLIER -92.26 -157.42 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 118' ' ' ILE . . . 175.17 67.16 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.542 1.151 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 120' ' ' VAL . 28.0 m -120.56 103.84 14.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.5 m -157.96 122.64 4.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.364 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -178.11 96.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -171.31 174.65 4.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.6 178.27 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 14.6 t -136.79 149.33 47.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.421 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.65 -136.43 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . 0.624 ' O ' HG12 ' A' ' 129' ' ' VAL . . . -165.49 -86.65 0.06 OUTLIER Glycine 0 CA--C 1.53 1.022 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.02 114.4 0.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 0.751 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 127' ' ' GLY . 10.3 p -172.13 108.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -176.15 143.89 0.55 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.63 167.43 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.17 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -178.16 142.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.289 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 9.9 t -151.45 146.28 25.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.407 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -89.06 94.17 9.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.573 1.17 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 18.7 m -136.89 84.16 2.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 m -117.91 103.63 10.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.992 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.16 145.87 42.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 138' ' ' TYR . 1.3 p90 -92.6 137.27 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.8 t -165.9 143.41 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 110.336 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 170.84 -120.12 0.84 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.482 1.113 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 27.5 t 60.97 119.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 0.0 110.003 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -126.68 167.89 15.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.649 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.81 141.91 40.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -77.29 137.15 38.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.148 . . . . 0.0 110.326 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 20.1 ttm-85 -176.08 103.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.7 162.36 14.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -161.01 136.74 4.58 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.63 28.19 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.482 1.78 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 1.1 m -145.18 -60.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.015 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.2 m 61.7 138.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.007 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -85.49 128.05 34.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 0.773 . . . . 0.0 110.024 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.5 t 179.64 98.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.025 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.6 117.48 1.77 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.971 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.11 170.32 11.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 0.769 . . . . 0.0 110.003 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.24 120.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.78 -96.43 1.41 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.162 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.1 mtp -154.01 82.14 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 10' ' ' ALA . . . 43.72 82.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.414 ' HB2' ' O ' ' A' ' 9' ' ' ALA . . . -179.83 137.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.1 t -174.91 68.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.968 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.51 HG23 ' N ' ' A' ' 13' ' ' ASP . 5.3 t -167.38 -54.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.384 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.51 ' N ' HG23 ' A' ' 12' ' ' THR . 3.0 m-20 -102.12 -179.26 3.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.574 HG22 ' H ' ' A' ' 15' ' ' ALA . 1.4 mm -104.71 -149.43 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.574 ' H ' HG22 ' A' ' 14' ' ' ILE . . . 173.64 74.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 144.88 -15.53 1.96 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.127 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' HB2' ' HB2' ' A' ' 111' ' ' ALA . 60.3 tp -51.99 -70.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 109.263 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -49.74 -26.19 3.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -75.27 -29.92 60.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 17' ' ' LEU . 52.9 m -83.19 -47.52 11.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 25' ' ' ALA . 6.7 t80 -51.89 -51.17 58.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 2.3 ttm180 -48.78 -48.36 41.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' HB3' ' CD ' ' A' ' 115' ' ' PRO . 45.4 mttt -49.42 -42.83 43.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.795 ' CD1' HD13 ' A' ' 45' ' ' LEU . 45.8 m-85 -82.25 -27.22 32.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.459 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -68.69 -47.74 65.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 27' ' ' HIS . 12.4 pt -93.7 14.63 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 26' ' ' ILE . 10.9 t-80 -38.62 101.67 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.618 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.23 -55.0 3.18 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.467 1.105 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.452 ' HB3' ' HB3' ' A' ' 32' ' ' ALA . 3.3 t70 -41.25 105.25 0.38 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -21.31 16.0 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -82.48 -45.09 15.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 29' ' ' ASP . . . -41.18 133.34 2.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.1 t -110.88 10.97 22.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.09 37.4 21.95 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 111.001 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -115.46 -8.62 12.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.773 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG2' ' CG2' ' A' ' 76' ' ' VAL . 1.9 mp0 -146.55 153.03 39.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.462 ' N ' ' O ' ' A' ' 77' ' ' ILE . 27.8 ttm -138.83 119.73 14.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 111.035 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.484 ' HA ' HG12 ' A' ' 76' ' ' VAL . 0.5 OUTLIER -74.86 143.99 43.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.593 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -47.54 -37.96 13.72 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -65.47 -33.33 75.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 0.75 . . . . 0.0 109.316 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' ASN . 37.6 m-20 -88.58 -9.16 53.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.818 ' NE1' HG22 ' A' ' 62' ' ' VAL . 3.7 t-105 -95.66 -57.05 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.02 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.91 -44.84 82.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -60.97 -41.39 96.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.795 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.1 tp -60.01 -30.67 69.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.468 ' O ' HG23 ' A' ' 51' ' ' VAL . 59.9 m -71.59 -59.19 2.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 108.299 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.75 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.6 OUTLIER -53.83 -48.29 70.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -58.47 -38.24 77.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HB2' HG23 ' A' ' 51' ' ' VAL . 56.3 m -90.59 12.88 17.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 108.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt 46.69 43.27 12.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.295 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 46' ' ' CYS . 5.3 t -86.63 -41.26 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.75 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -101.73 78.86 1.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.98 -30.14 70.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.815 ' O ' HG22 ' A' ' 58' ' ' THR . . . 115.54 -34.84 4.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.92 -88.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 0.767 . . . . 0.0 109.257 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -55.04 -36.87 66.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.507 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 10.2 t -123.91 131.13 73.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.815 HG22 ' O ' ' A' ' 54' ' ' GLY . 40.7 p -116.05 140.87 48.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.389 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.497 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -47.68 -22.78 1.97 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.5 1.125 . . . . 0.0 111.001 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.2 m -75.91 -31.6 59.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 0.781 . . . . 0.0 110.398 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.1 m-20 -71.77 -47.79 51.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.818 HG22 ' NE1' ' A' ' 42' ' ' TRP . 3.9 p -61.57 -38.41 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -42.04 97.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.1 mt -70.33 -50.36 46.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.502 ' CG1' ' HA ' ' A' ' 85' ' ' ALA . 6.0 t -52.84 -48.07 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.593 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 18.5 t80 -59.7 -31.59 69.73 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.152 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.44 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.1 OUTLIER -95.65 3.55 53.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.04 -34.32 7.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.97 -20.4 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.263 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.44 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 8.3 pttt -101.87 -163.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -126.87 166.4 17.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.88 -14.91 38.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.06 -76.41 0.41 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.42 145.45 1.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 ptt-85 -113.06 -10.53 13.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 38' ' ' ASN . 2.5 m -123.25 168.5 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.548 HD12 ' HB2' ' A' ' 82' ' ' PHE . 1.8 pt -120.4 148.58 23.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 81' ' ' GLU . 1.8 m120 -104.72 159.95 15.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.31 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.8 t80 -47.08 -25.07 0.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -75.13 -36.63 61.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 78' ' ' ASN . 48.7 mt-10 -90.65 -28.87 18.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.548 ' HB2' HD12 ' A' ' 77' ' ' ILE . 5.6 t80 -69.02 -26.42 64.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 ptpt -77.37 -28.4 52.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -67.86 -43.63 79.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.502 ' HA ' ' CG1' ' A' ' 65' ' ' VAL . . . -58.3 -48.01 81.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.52 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 90.2 mt -55.46 -38.02 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.608 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 8.9 mt-10 -63.69 -39.86 95.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.427 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 29.8 mm-40 -71.93 -32.11 67.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.626 HD11 HG23 ' A' ' 62' ' ' VAL . 21.3 mt -91.21 -6.11 53.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -64.29 -54.97 24.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.434 ' O ' ' O ' ' A' ' 95' ' ' LYS . 58.4 p -78.17 -36.38 47.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.624 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 26.8 mtpt -68.2 -10.24 52.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.522 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 43.3 tpt85 -105.88 -57.99 1.97 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.598 ' O ' ' C ' ' A' ' 95' ' ' LYS . 86.3 m-85 -90.39 95.47 10.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 111.035 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.598 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 23.13 -120.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -123.54 35.44 3.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 96' ' ' GLY . 11.8 mttp -54.69 -168.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.3 m -85.61 167.11 15.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 110.017 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' NZ ' ' OE2' ' A' ' 87' ' ' GLU . 5.1 tttm -65.29 -42.78 92.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -76.21 -51.26 12.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 110.286 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -55.29 -52.41 63.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -57.37 -55.63 32.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.608 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 67.5 t80 -54.4 -39.04 66.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.91 -31.39 68.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.568 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -76.66 -36.14 57.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.603 ' HA ' HD12 ' A' ' 109' ' ' LEU . 0.2 OUTLIER -80.55 -37.19 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 21.3 m -61.53 -26.25 67.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 108.298 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -76.96 -25.55 52.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.603 HD12 ' HA ' ' A' ' 106' ' ' ILE . 49.4 mt -67.0 -19.17 65.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 113' ' ' LYS . 4.1 mt -108.54 -66.4 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.471 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . . . -39.15 106.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 119.2 -40.68 2.18 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 110' ' ' ILE . 1.9 mttt -72.17 170.55 13.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.29 150.99 26.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.563 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.5 Cg_endo -74.96 1.51 7.63 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.998 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -67.33 171.73 5.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.35 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -63.39 -55.66 22.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 4.3 mt -87.02 87.01 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -156.09 84.67 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.6 p -168.04 136.61 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.539 HG22 ' O ' ' A' ' 121' ' ' THR . 30.3 m -151.46 47.17 0.81 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.402 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -161.66 153.09 18.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -176.48 105.27 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -150.99 171.04 17.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 31.2 p -142.68 164.84 29.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.384 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -126.14 -161.17 10.86 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -162.93 126.07 1.49 Allowed Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -170.87 160.35 6.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 0.795 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 1.4 p -127.47 103.79 11.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -169.2 152.13 4.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 109.31 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.94 172.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.868 HD22 ' N ' ' A' ' 133' ' ' THR . 0.0 OUTLIER 175.33 126.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.868 ' N ' HD22 ' A' ' 132' ' ' LEU . 14.5 t -108.9 134.75 51.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.428 ' OD1' HD11 ' A' ' 132' ' ' LEU . 6.5 p-10 -170.89 120.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.619 HG23 ' N ' ' A' ' 136' ' ' SER . 10.3 t -123.71 -135.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.411 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.619 ' N ' HG23 ' A' ' 135' ' ' THR . 4.0 m -173.31 162.0 4.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -81.18 173.4 12.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 138' ' ' TYR . 6.9 p90 -122.91 171.97 8.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 11.3 t -163.52 141.48 7.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 168.76 151.82 7.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 110.976 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.15 166.18 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 0.789 . . . . 0.0 109.953 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -156.68 174.24 15.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.636 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -139.74 -68.08 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 63.2 137.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.9 ptt180 -162.29 162.28 28.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.322 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.29 145.33 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.002 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -105.88 136.63 13.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -57.83 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.96 106.84 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.987 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.53 169.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.038 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 m -129.77 168.17 16.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 0.778 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.7 p -133.46 151.19 51.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.12 . . . . 0.0 109.989 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.8 124.8 1.98 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -108.39 169.3 8.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 0.734 . . . . 0.0 110.02 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.4 m -67.81 -52.13 40.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 110.027 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.31 131.07 6.16 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.42 170.93 8.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.9 129.23 35.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.08 -164.58 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.5 p -73.38 -147.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.024 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 13' ' ' ASP . 1.1 m -74.64 -74.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.427 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' N ' HG22 ' A' ' 12' ' ' THR . 0.7 OUTLIER -84.33 171.91 12.26 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.762 HG23 ' CB ' ' A' ' 111' ' ' ALA . 1.9 mp -39.33 -79.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.555 ' N ' HG22 ' A' ' 14' ' ' ILE . . . 65.23 83.71 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 145.43 -16.14 1.86 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.672 ' HB2' HG21 ' A' ' 14' ' ' ILE . 28.3 tp -54.63 -70.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 0.743 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.479 ' HG3' ' CZ ' ' A' ' 79' ' ' TYR . 3.2 tt0 -48.59 -29.39 4.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -69.15 -48.62 61.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.128 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.451 ' HB2' HG22 ' A' ' 110' ' ' ILE . 54.0 m -66.25 -36.88 84.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -56.96 -53.11 61.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -49.84 -42.26 46.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -49.63 -55.14 14.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.923 ' CD1' HD13 ' A' ' 45' ' ' LEU . 62.4 m-85 -71.85 -29.42 64.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.953 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -66.78 -47.62 71.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 27' ' ' HIS . 4.5 pt -92.15 13.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' ILE . 15.1 t-80 -38.62 111.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 71.24 -58.1 1.12 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.473 ' HB3' ' HB2' ' A' ' 32' ' ' ALA . 2.6 m-20 -44.28 105.31 0.43 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -21.61 15.78 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.771 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -83.09 -41.8 18.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . . . -39.96 128.59 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 m -91.64 -15.44 28.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.005 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 98.89 30.39 6.78 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -110.79 -1.36 16.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 110.316 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.433 ' O ' ' HB1' ' A' ' 25' ' ' ALA . 1.7 mt-10 -144.63 152.01 39.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.507 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 30.5 ttm -143.47 129.97 20.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' ASN . 0.3 OUTLIER -81.72 143.58 31.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.253 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.584 ' HA2' ' CE2' ' A' ' 66' ' ' PHE . . . -47.12 -32.59 6.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -37.49 85.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 0.724 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 38' ' ' ASN . 9.1 m-20 -81.96 -28.29 32.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.86 ' NE1' HG22 ' A' ' 62' ' ' VAL . 5.2 t-105 -72.06 -58.82 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 107.97 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.33 -48.93 75.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.1 tttt -58.52 -44.13 89.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.923 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.3 tp -57.09 -31.39 65.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 51' ' ' VAL . 57.8 m -74.32 -58.56 3.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 108.31 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.659 ' HD2' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -54.74 -43.1 72.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.85 -36.93 85.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' SG ' HD12 ' A' ' 45' ' ' LEU . 66.0 m -92.66 13.45 20.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 108.286 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 46' ' ' CYS . 1.3 mmmm 45.99 46.13 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 46' ' ' CYS . 3.6 t -89.42 -38.73 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.659 ' HB3' ' HD2' ' A' ' 47' ' ' LYS . . . -103.55 82.9 2.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -62.29 -30.88 71.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.261 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.868 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.19 -30.12 7.54 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.65 -82.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.806 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.53 -34.53 78.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.408 ' O ' ' CA ' ' A' ' 54' ' ' GLY . 17.5 t -125.73 118.37 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.868 HG22 ' O ' ' A' ' 54' ' ' GLY . 82.1 p -104.3 140.94 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.447 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -47.61 -22.61 1.84 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.471 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.1 m -75.27 -30.48 60.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.42 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.8 OUTLIER -75.89 -49.65 17.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.86 HG22 ' NE1' ' A' ' 42' ' ' TRP . 4.1 p -58.68 -36.15 58.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -67.38 -43.72 80.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.471 HD12 ' O ' ' A' ' 60' ' ' THR . 32.4 mt -66.76 -49.94 69.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.657 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.0 t -52.86 -50.92 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.584 ' CE2' ' HA2' ' A' ' 39' ' ' GLY . 27.5 t80 -57.52 -29.01 63.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.423 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -87.97 -14.13 39.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.978 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -93.04 -39.72 10.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.657 HG13 ' O ' ' A' ' 65' ' ' VAL . 7.9 m -69.27 -36.1 70.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 5.0 pttt -84.1 -171.66 3.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -110.96 -178.68 3.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.97 10.33 19.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.64 -49.52 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.96 147.93 45.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.67 -6.6 12.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 m -129.11 161.2 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.2 pt -115.94 153.75 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.409 ' O ' ' N ' ' A' ' 81' ' ' GLU . 2.0 m-20 -108.91 158.83 17.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.479 ' CZ ' ' HG3' ' A' ' 18' ' ' GLU . 16.4 t80 -39.35 -42.22 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -58.05 -49.03 78.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.27 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 78' ' ' ASN . 43.4 mt-10 -74.0 -41.4 61.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.508 ' CZ ' HD11 ' A' ' 86' ' ' LEU . 50.8 t80 -53.24 -49.38 66.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.31 -27.29 69.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -39.47 92.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.537 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -71.4 -41.87 69.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.508 HD11 ' CZ ' ' A' ' 82' ' ' PHE . 20.4 mt -56.97 -38.46 73.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.57 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 7.2 mt-10 -65.27 -46.06 82.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.487 ' O ' ' CD ' ' A' ' 92' ' ' LYS . 7.6 mm-40 -65.03 -29.68 70.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.42 1.075 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.724 HD11 HG23 ' A' ' 62' ' ' VAL . 59.5 mt -95.98 -5.74 40.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -63.98 -56.13 17.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 95' ' ' LYS . 62.6 p -77.01 -38.78 52.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.806 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 16.1 mtpt -64.89 -11.76 41.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 23.4 tpt85 -105.43 -53.92 2.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.919 ' CE2' ' HB1' ' A' ' 105' ' ' ALA . 78.6 m-85 -94.42 95.77 9.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.613 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 22.46 -119.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -128.3 36.13 2.55 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.454 ' CE ' ' HE3' ' A' ' 95' ' ' LYS . 13.2 mttm -55.36 -168.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.9 m -85.35 158.68 20.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.964 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' HD3' ' CG ' ' A' ' 100' ' ' GLU . 0.0 OUTLIER -55.75 -42.65 75.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.45 ' CG ' ' HD3' ' A' ' 99' ' ' LYS . 6.2 mt-10 -75.0 -52.77 10.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -55.43 -51.03 68.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.25 -50.96 71.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.57 ' CD1' ' HG2' ' A' ' 87' ' ' GLU . 69.0 t80 -61.1 -39.7 90.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.88 -21.78 65.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.919 ' HB1' ' CE2' ' A' ' 94' ' ' PHE . . . -86.26 -39.23 16.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.555 ' HA ' HD12 ' A' ' 109' ' ' LEU . 5.5 tt -74.41 -33.93 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.561 ' SG ' HD22 ' A' ' 17' ' ' LEU . 99.2 m -67.16 -36.99 82.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 108.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.7 mm-40 -68.14 -21.93 64.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.322 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 106' ' ' ILE . 56.3 mt -73.04 -24.08 60.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 20' ' ' SER . 5.5 mt -102.0 -64.53 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.353 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.762 ' CB ' HG23 ' A' ' 14' ' ' ILE . . . -38.63 114.95 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 110.02 -39.51 2.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.417 1.073 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -75.48 167.04 22.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 0.776 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -150.71 156.84 36.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.567 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.0 1.47 7.71 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.17 -174.81 2.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.97 -60.05 1.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.9 mp 59.67 111.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 61.01 135.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.147 . . . . 0.0 110.952 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.7 p -125.9 131.33 71.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 0.732 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 29.1 p -139.6 177.98 7.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.88 97.67 8.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.21 55.81 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt 65.02 87.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 67.8 p -145.25 165.1 29.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.372 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 136.95 127.13 2.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 0.0 110.994 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 121.39 74.11 0.34 Allowed Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -167.39 142.48 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.321 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 2.6 p -160.15 125.31 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.5 p30 173.86 147.83 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.168 . . . . 0.0 109.243 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.413 ' O ' ' HB3' ' A' ' 132' ' ' LEU . 13.9 ttt180 -163.66 -70.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 131' ' ' ARG . 0.0 OUTLIER 74.78 147.52 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 60.5 p -124.4 59.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.443 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -167.45 101.2 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 9.1 t -96.6 -44.11 7.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 110.4 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.25 -162.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.759 ' O ' HG22 ' A' ' 139' ' ' THR . 19.7 tttm -142.52 138.23 30.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -48.1 100.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.759 HG22 ' O ' ' A' ' 137' ' ' LYS . 9.2 t -171.46 141.46 1.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.432 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 134.06 166.27 11.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.71 152.04 0.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 0.77 . . . . 0.0 110.048 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -102.32 159.67 15.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.01 121.65 17.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.39 136.34 5.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -175.7 166.4 3.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 58.7 p -122.35 -59.79 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.959 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 111.76 171.89 19.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 176.23 10.19 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.512 1.796 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.35 -58.49 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.017 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.51 161.47 36.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -174.31 121.25 0.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.063 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -157.95 158.39 34.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.974 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.73 101.51 0.79 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 m -173.15 174.33 3.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 109.999 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.02 163.06 9.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.977 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.11 120.84 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttp -105.26 -18.55 14.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.71 176.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.71 175.68 5.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 170.65 137.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 13' ' ' ASP . 1.4 m -47.02 -80.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.431 ' N ' HG22 ' A' ' 12' ' ' THR . 3.0 p-10 -81.9 176.74 9.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.598 HG21 ' HB2' ' A' ' 17' ' ' LEU . 46.0 mm -40.71 -78.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 64.36 73.76 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 0.0 109.334 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.412 ' C ' ' HA ' ' A' ' 111' ' ' ALA . . . 158.69 -27.66 0.41 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.598 ' HB2' HG21 ' A' ' 14' ' ' ILE . 34.6 tp -58.01 -79.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.568 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 3.5 tt0 -47.66 -25.15 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -74.77 -35.48 62.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.346 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.593 ' HB2' HG22 ' A' ' 110' ' ' ILE . 49.8 m -80.11 -44.18 20.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -50.46 -55.79 14.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 111.018 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.464 ' CG ' ' HA3' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -49.88 -47.76 51.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' CD ' ' HG2' ' A' ' 114' ' ' GLU . 34.4 mttm -49.87 -52.51 32.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.747 ' CD1' HD13 ' A' ' 45' ' ' LEU . 35.4 m-85 -73.12 -22.51 60.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 22' ' ' ARG . . . -75.02 -47.64 28.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.433 HG22 ' HB1' ' A' ' 32' ' ' ALA . 7.0 pt -88.06 9.04 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -52.46 110.22 0.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.614 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.63 55.86 6.39 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 177.69 103.63 0.13 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -21.28 15.92 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.505 1.792 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -75.19 -41.01 58.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB1' HG22 ' A' ' 26' ' ' ILE . . . -45.76 141.16 3.09 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.0 p -106.68 -8.36 16.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.464 ' HA3' ' CG ' ' A' ' 22' ' ' ARG . . . 91.51 31.11 9.8 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -106.05 -13.32 15.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 0.783 . . . . 0.0 110.292 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -134.12 148.93 51.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.283 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.8 ttm -139.63 118.69 12.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.509 ' HA ' HG12 ' A' ' 76' ' ' VAL . 1.8 m120 -73.79 143.8 45.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.543 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . -49.56 -37.32 26.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.125 . . . . 0.0 110.998 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -38.94 88.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 0.741 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.1 m-20 -79.5 -34.29 41.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.869 ' NE1' HG22 ' A' ' 62' ' ' VAL . 2.9 t-105 -65.83 -52.53 49.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 107.977 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 46' ' ' CYS . . . -61.59 -58.01 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -50.08 -25.21 3.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.747 HD13 ' CD1' ' A' ' 24' ' ' PHE . 9.8 tp -78.93 -30.52 44.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 43' ' ' ALA . 0.8 OUTLIER -74.62 -11.41 60.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 108.277 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.55 -50.02 3.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.461 ' OD2' ' HA ' ' A' ' 115' ' ' PRO . 13.7 t0 -57.71 -34.67 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.408 ' HB2' ' CG2' ' A' ' 51' ' ' VAL . 37.1 m -94.55 11.2 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 45.62 43.09 8.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 46' ' ' CYS . 2.3 t -82.52 -41.03 17.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.495 ' HB2' ' SG ' ' A' ' 46' ' ' CYS . . . -92.42 81.88 4.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -52.32 -37.32 55.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.577 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.58 -30.71 7.06 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -81.12 -76.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 109.288 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.851 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -63.82 -42.9 97.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.9 t -115.63 124.1 71.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 54' ' ' GLY . 18.8 p -109.98 141.77 42.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.485 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -48.65 -21.41 2.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.515 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.2 m -78.89 -27.78 43.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 0.779 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 58' ' ' THR . 1.2 m-20 -77.28 -46.92 21.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.869 HG22 ' NE1' ' A' ' 42' ' ' TRP . 5.1 p -58.36 -36.54 58.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.01 -47.95 75.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 60' ' ' THR . 17.3 mt -63.58 -48.06 88.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.59 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 t -56.73 -46.02 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.543 ' CE1' ' HA2' ' A' ' 39' ' ' GLY . 48.9 t80 -59.8 -32.45 70.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.23 -7.2 54.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.015 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.457 ' HE3' HG22 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -93.03 -21.57 19.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.082 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 65' ' ' VAL . 15.4 m -90.64 -32.29 5.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 66' ' ' PHE . 4.2 pttt -95.59 -165.51 1.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -125.47 172.27 9.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -67.76 -10.8 55.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 t -93.73 -68.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.112 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.57 155.05 0.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -127.95 3.67 5.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.285 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 38' ' ' ASN . 3.7 m -140.83 164.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.345 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 82' ' ' PHE . 25.5 pt -125.0 151.19 30.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 81' ' ' GLU . 0.3 OUTLIER -103.45 160.27 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.568 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 21.2 t80 -40.4 -29.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.986 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 78' ' ' ASN . 2.4 mt-10 -72.29 -48.82 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' ASN . 98.7 mt-10 -78.18 -14.77 59.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 110.253 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.756 ' CE2' HD11 ' A' ' 86' ' ' LEU . 32.8 t80 -82.69 -33.04 27.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 ptpt -71.74 -29.38 64.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 18.5 mtmt -62.14 -59.31 5.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -47.8 -48.73 30.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.756 HD11 ' CE2' ' A' ' 82' ' ' PHE . 96.1 mt -53.61 -40.94 66.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.571 ' HG2' ' CD1' ' A' ' 103' ' ' PHE . 1.1 mm-40 -63.15 -36.61 84.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -76.16 -25.08 54.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.328 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.684 HD11 HG23 ' A' ' 62' ' ' VAL . 69.3 mt -98.9 -3.35 35.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 86' ' ' LEU . . . -68.59 -57.56 5.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 95' ' ' LYS . 29.8 p -77.39 -35.33 54.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.363 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.851 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 15.3 mtpt -67.69 -10.73 55.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.344 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 89' ' ' LEU . 28.6 tpt85 -106.87 -58.08 1.98 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.572 ' O ' ' C ' ' A' ' 95' ' ' LYS . 82.2 m-85 -87.62 96.2 10.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.572 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 25.98 -121.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -127.4 35.21 2.87 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 96' ' ' GLY . 2.4 mttp -54.49 -169.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 0.5 OUTLIER -82.9 174.36 10.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.04 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -68.98 -48.72 62.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.59 -47.91 29.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.57 -52.08 64.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 98' ' ' SER . . . -59.77 -54.51 45.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.602 ' CE2' ' SG ' ' A' ' 107' ' ' CYS . 73.9 t80 -54.94 -41.67 71.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.08 -25.66 67.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.28 -35.08 28.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -80.14 -32.94 14.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.422 1.076 . . . . 0.0 109.314 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.602 ' SG ' ' CE2' ' A' ' 103' ' ' PHE . 11.0 m -65.0 -23.36 67.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 108.287 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -78.35 -26.45 46.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 106' ' ' ILE . 64.2 mt -68.68 -34.14 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.593 HG22 ' HB2' ' A' ' 20' ' ' SER . 6.5 mt -95.08 -58.37 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 107' ' ' CYS . . . -44.75 105.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 114.2 -42.41 1.94 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.68 147.35 50.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' HG2' ' CD ' ' A' ' 23' ' ' LYS . 39.0 mt-10 -129.62 153.33 80.72 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.486 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . 18.3 Cg_endo -75.06 1.44 7.76 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -174.46 100.15 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' GLY . 0.7 OUTLIER 172.34 46.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.07 87.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.731 ' O ' HG12 ' A' ' 120' ' ' VAL . . . 152.31 -80.28 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 119' ' ' GLY . 0.3 OUTLIER 87.8 163.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 109.352 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 10.5 t -51.55 167.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.363 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.41 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 1.3 mttt -102.71 167.97 9.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 122' ' ' LYS . . . 66.82 145.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.9 mtmt -109.12 -65.29 1.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 14.6 t -152.44 160.03 43.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.421 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.81 -107.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -138.42 -66.72 0.05 OUTLIER Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 64.39 129.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 0.739 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 98.0 t -131.84 132.29 61.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -138.72 165.98 25.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 74.87 155.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 110.289 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 174.46 119.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 23.8 p -143.15 164.79 29.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 172.48 132.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . 0.432 ' O ' ' OG ' ' A' ' 136' ' ' SER . 1.2 m -145.49 -56.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 135' ' ' THR . 91.5 p 57.0 160.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.033 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -160.57 131.97 5.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -157.83 100.35 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 6.5 m -147.34 150.21 34.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.397 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . 102.63 109.64 3.34 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.539 1.149 . . . . 0.0 110.954 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.95 94.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.748 . . . . 0.0 110.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.28 104.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.606 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.04 172.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 62.64 114.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 2.9 tpp180 -122.75 96.32 4.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.8 t -170.23 170.09 7.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.002 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 118.6 123.74 3.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 110.965 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 162.31 37.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 110.949 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.97 -62.02 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.036 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.0 t -124.2 159.61 29.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.982 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.98 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 p -153.98 150.59 28.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 0.761 . . . . 0.0 109.972 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -133.33 164.8 26.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.93 174.86 46.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 t 62.1 89.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 109.968 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 p 176.88 125.2 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.84 -123.04 2.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.122 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ptp -153.0 172.67 16.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.26 156.44 31.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -174.72 163.46 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.21 81.96 1.73 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.983 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 t -175.28 -45.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -158.78 165.71 33.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.544 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 34.9 mm -46.56 -75.38 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.544 ' HB3' ' O ' ' A' ' 14' ' ' ILE . . . 73.72 74.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 156.42 -22.53 0.49 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.92 HD22 ' SG ' ' A' ' 107' ' ' CYS . 58.0 tp -52.03 -74.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 0.762 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.561 ' HG3' ' CE2' ' A' ' 79' ' ' TYR . 19.8 tt0 -46.96 -34.17 5.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -61.51 -50.87 70.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.332 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.609 ' OG ' HG22 ' A' ' 110' ' ' ILE . 2.7 p -63.68 -48.48 77.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' ALA . 18.4 t80 -49.78 -54.16 20.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -49.09 -47.01 45.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -52.95 -54.62 32.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.928 ' CD1' HD13 ' A' ' 45' ' ' LEU . 42.7 m-85 -68.76 -22.9 64.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' PHE . . . -76.74 -47.68 21.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.452 HG22 ' H ' ' A' ' 34' ' ' GLY . 7.0 pt -91.0 26.4 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CD2' ' HB2' ' A' ' 115' ' ' PRO . 0.1 OUTLIER -100.57 88.94 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.592 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 142.92 -42.96 1.06 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -113.79 131.04 23.27 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.303 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -34.31 3.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.8 mttm -67.45 -28.79 68.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 109.342 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -41.33 136.78 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -114.27 9.73 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' H ' HG22 ' A' ' 26' ' ' ILE . . . 74.21 32.84 57.79 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -114.52 -14.49 12.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -133.59 145.22 49.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 110.297 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.43 ' HE2' ' HB3' ' A' ' 24' ' ' PHE . 30.4 ttm -135.64 118.7 16.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.97 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -72.98 144.13 47.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.697 ' CA ' ' CE2' ' A' ' 66' ' ' PHE . . . -56.55 -16.13 14.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.501 1.125 . . . . 0.0 110.961 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt -76.66 -41.64 44.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 0.765 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -82.59 -33.13 28.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.806 ' NE1' HG22 ' A' ' 62' ' ' VAL . 3.8 t-105 -58.96 -58.36 8.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 108.037 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -53.8 -52.11 61.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -54.93 -35.82 64.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.928 HD13 ' CD1' ' A' ' 24' ' ' PHE . 12.0 tp -69.53 -27.76 65.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.509 ' SG ' ' CZ3' ' A' ' 42' ' ' TRP . 84.4 m -92.17 11.24 26.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 108.292 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.606 ' HE3' ' HB3' ' A' ' 52' ' ' ALA . 8.1 mptt -118.58 -55.67 2.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.98 -40.67 94.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.611 ' SG ' HD12 ' A' ' 45' ' ' LEU . 99.8 m -74.8 -4.24 36.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 108.293 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 49.5 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.581 HG13 HG13 ' A' ' 106' ' ' ILE . 2.1 t -94.95 -36.4 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB3' ' HE3' ' A' ' 47' ' ' LYS . . . -100.26 86.85 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 93' ' ' ARG . 20.9 p-10 -56.54 -38.39 71.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.615 ' O ' HG22 ' A' ' 58' ' ' THR . . . 113.28 -27.86 9.15 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -80.24 -75.17 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.853 ' HB1' ' O ' ' A' ' 92' ' ' LYS . . . -68.26 -41.74 80.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.3 t -112.47 118.19 57.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 54' ' ' GLY . 16.0 p -109.31 142.12 40.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -46.23 -22.75 1.0 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.484 ' O ' HD12 ' A' ' 64' ' ' ILE . 1.2 m -74.26 -31.68 62.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 58' ' ' THR . 0.4 OUTLIER -75.24 -50.88 14.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.853 HG23 HD11 ' A' ' 89' ' ' LEU . 4.2 p -57.7 -36.65 55.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.29 -44.62 91.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.484 HD12 ' O ' ' A' ' 60' ' ' THR . 22.7 mt -68.85 -46.0 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.758 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.3 t -55.67 -50.91 64.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.697 ' CE2' ' CA ' ' A' ' 39' ' ' GLY . 7.2 t80 -59.48 -31.27 69.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.433 ' HA ' ' HG2' ' A' ' 70' ' ' LYS . 0.4 OUTLIER -86.92 -15.85 37.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.023 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -88.1 -40.94 13.39 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.758 HG13 ' O ' ' A' ' 65' ' ' VAL . 6.1 m -67.43 -39.94 83.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.485 ' HB3' HG22 ' A' ' 77' ' ' ILE . 4.0 pttt -80.54 -173.32 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.443 ' N ' ' HG3' ' A' ' 70' ' ' LYS . . . -111.83 166.41 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.49 -13.74 53.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.568 1.167 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.85 -69.07 0.77 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -40.45 149.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.03 -24.55 9.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.282 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.8 m -112.16 -178.0 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.765 HD12 ' HB2' ' A' ' 82' ' ' PHE . 2.3 pt -132.44 148.37 31.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.34 160.34 14.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 18' ' ' GLU . 16.3 t80 -50.67 -25.34 4.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -76.53 -28.76 56.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -97.41 -25.34 15.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.765 ' HB2' HD12 ' A' ' 77' ' ' ILE . 2.3 t80 -73.62 -38.97 64.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.462 ' O ' ' CE2' ' A' ' 103' ' ' PHE . 9.0 ptpt -63.09 -32.72 74.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -61.0 -56.9 15.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.569 ' HB1' ' CZ2' ' A' ' 42' ' ' TRP . . . -41.83 -44.61 3.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.567 ' HB3' HG21 ' A' ' 106' ' ' ILE . 92.6 mt -52.73 -54.63 31.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.33 -35.64 51.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -74.54 -30.51 61.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.853 HD11 HG23 ' A' ' 62' ' ' VAL . 52.3 mt -98.97 4.42 47.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.558 ' HB1' ' HB1' ' A' ' 102' ' ' ALA . . . -82.16 -57.71 3.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.1 p -77.42 -20.42 54.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.412 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.853 ' O ' ' HB1' ' A' ' 56' ' ' ALA . 20.8 mtpt -83.25 -19.9 35.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 53' ' ' ASP . 17.6 tpt85 -102.02 -65.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.948 ' CE1' ' HB1' ' A' ' 105' ' ' ALA . 80.5 m-85 -76.46 92.79 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.601 ' C ' ' O ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER 23.8 -121.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 97' ' ' LYS . . . -127.87 31.51 3.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.462 1.101 . . . . 0.0 111.014 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.43 ' HG3' ' CE ' ' A' ' 95' ' ' LYS . 16.1 mttt -49.32 178.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.279 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.405 ' OG ' ' HB2' ' A' ' 101' ' ' GLU . 58.0 p -72.02 158.54 35.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 7.2 tttt -53.43 -41.15 65.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 1.088 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.55 -48.63 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' HB2' ' OG ' ' A' ' 98' ' ' SER . 31.6 mt-10 -55.2 -52.02 64.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.558 ' HB1' ' HB1' ' A' ' 90' ' ' ALA . . . -55.02 -54.34 44.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.462 ' CE2' ' O ' ' A' ' 83' ' ' LYS . 3.1 t80 -61.09 -36.44 79.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.53 -24.78 64.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.948 ' HB1' ' CE1' ' A' ' 94' ' ' PHE . . . -82.82 -50.5 8.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.581 HG13 HG13 ' A' ' 51' ' ' VAL . 3.7 tt -58.77 -29.63 40.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . 0.92 ' SG ' HD22 ' A' ' 17' ' ' LEU . 6.4 m -66.81 -29.02 68.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.274 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.4 ' HB2' ' O ' ' A' ' 105' ' ' ALA . 4.0 mt-30 -67.32 -39.68 85.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.521 ' CD2' ' HA ' ' A' ' 106' ' ' ILE . 0.2 OUTLIER -59.97 -45.26 93.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.827 HG23 HD11 ' A' ' 45' ' ' LEU . 3.4 mt -90.09 -78.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.776 ' HB3' ' O ' ' A' ' 107' ' ' CYS . . . -35.97 120.61 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 101.38 -34.36 5.72 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -81.7 175.08 10.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 0.714 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -153.67 150.75 23.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.576 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.2 Cg_endo -74.99 2.1 7.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.793 . . . . 0.0 110.972 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -151.5 130.07 12.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 175.12 92.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 2.5 mp 47.06 75.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -173.81 -67.77 0.05 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.431 ' O ' HG23 ' A' ' 120' ' ' VAL . 15.7 m -117.42 84.82 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.76 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 31.5 p -86.88 162.45 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.346 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.4 tttp -173.24 152.45 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -46.75 163.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.0 177.53 6.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . 18.8 m -114.86 149.65 36.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.094 . . . . 0.0 110.402 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -117.31 -164.2 13.27 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.457 1.098 . . . . 0.0 111.022 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -158.77 178.58 34.91 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -146.23 175.53 10.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.269 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 88.8 t 40.9 86.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -102.11 138.15 39.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -164.49 161.22 21.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.46 84.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 3.6 m -128.82 92.65 3.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -139.79 100.85 4.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 17.7 m -153.22 96.74 2.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.401 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 62.7 p -91.8 -16.18 27.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.14 153.42 49.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.2 155.68 36.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 12.9 t -59.8 143.7 50.43 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 110.387 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -129.82 146.9 17.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.6 p -152.3 112.59 4.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.747 . . . . 0.0 109.978 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.2 137.52 41.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.602 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.86 90.06 5.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -103.6 130.02 50.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.84 100.47 9.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.352 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.36 139.42 19.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.995 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 148.86 83.23 0.04 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -48.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 110.949 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' SER . . . . . . . . . . . . . 9.8 p 59.07 113.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 110.004 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 16.4 p -158.99 167.3 29.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 110.96 179.992 . . . . . . . . 0 0 . 1 stop_ save_