data_1d6t_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 1d6t _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.539 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.459 0.171 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.24 170.44 13.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.4 mt -135.62 114.08 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -131.13 6.3 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -174.83 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.3 p30 -95.95 -48.18 5.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.13 -38.51 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.54 -25.41 64.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.41 -28.14 17.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -80.34 -33.78 37.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.25 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -42.55 -73.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -47.24 -55.24 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 3.2 m-85 -57.53 -13.53 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.19 -79.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 -3.38 10.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -48.73 158.39 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' THR . 14.1 t60 -104.55 100.93 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.55 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.456 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 35.1 p -93.15 154.1 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.538 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 13.3 m -128.89 -142.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 25' ' ' VAL . . . 160.38 128.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 9.6 p30 -87.78 -87.87 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 10.5 ptp180 -122.65 -46.11 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.39 13.15 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.508 ' O ' ' CG2' ' A' ' 105' ' ' VAL . 0.2 OUTLIER -135.61 137.39 41.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -126.75 146.17 33.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.3 m -127.77 128.19 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.456 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 6.3 m-85 -106.89 130.12 54.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' HIS . 29.7 p -140.84 165.2 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.406 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CB ' ' CG2' ' A' ' 77' ' ' ILE . 4.4 p90 -67.54 88.82 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 82' ' ' ILE . 2.6 mtm180 -51.7 93.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -77.4 137.06 38.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.85 161.61 27.79 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -136.6 127.57 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.517 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 9.3 m -143.16 148.02 35.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -137.22 179.15 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 t -100.26 170.53 8.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -104.05 1.97 31.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 53' ' ' LEU . 13.5 mttt -110.57 -15.21 13.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.528 ' CD2' ' CD1' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -35.95 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.86 -110.93 0.36 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -100.89 179.16 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.53 -24.31 65.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.71 -26.29 30.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -81.94 -44.27 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -71.98 -5.03 32.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.523 ' O ' ' N ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -95.25 -56.67 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -46.16 29.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.528 ' CD1' ' CD2' ' A' ' 53' ' ' LEU . 4.9 mt -62.01 -24.27 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' ASN . 64.1 mttt -89.76 -58.04 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 67' ' ' ARG . 2.5 mtp180 -49.71 -67.87 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.95 -28.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -83.45 -41.09 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -70.42 -9.8 57.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.66 -26.95 14.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.7 t-20 -82.61 -68.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.516 ' CZ ' ' CD1' ' A' ' 82' ' ' ILE . 1.0 OUTLIER -40.53 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -60.77 -47.9 84.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.596 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 3.1 m -77.75 -41.99 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.43 ' CD2' ' CG2' ' A' ' 72' ' ' VAL . 59.2 m-70 -76.94 2.02 15.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -53.87 -41.08 67.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.386 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.18 12.23 27.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 72' ' ' VAL . 1.3 m170 -113.43 -19.01 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.647 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.476 ' CG2' ' CB ' ' A' ' 43' ' ' PHE . 1.7 mp -89.62 142.87 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.636 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -113.47 161.39 17.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.558 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -60.98 129.65 42.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.778 ' O ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER 159.64 49.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.263 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.778 ' O ' ' O ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER 34.8 111.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.516 ' CD1' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -131.47 131.5 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.6 mt -150.3 158.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 109.26 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.449 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 14.9 m -136.52 115.03 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.705 ' CD1' ' N ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -107.62 146.53 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.6 117.42 29.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 -49.58 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.4 OUTLIER 171.47 -52.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.6 Cg_endo -74.93 2.39 6.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.69 -2.07 27.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.56 -36.65 83.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.94 -23.71 66.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.6 mtm -66.64 166.99 11.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.505 ' C ' ' CD1' ' A' ' 98' ' ' ILE . 18.1 p -133.99 -178.58 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -8.25 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.34 -43.38 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 100' ' ' ASN . 30.9 mt-30 -79.58 -48.21 14.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.505 ' CD1' ' C ' ' A' ' 94' ' ' THR . 9.7 mt -45.12 -40.19 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -72.29 -35.74 68.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' GLN . 8.1 m-20 -72.39 -6.12 41.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.7 m -78.08 -47.88 17.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.41 -17.1 58.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -2.55 14.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.2 t-160 -134.99 -77.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.697 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 4.2 p -39.96 -53.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.621 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -64.07 -43.07 96.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.1 OUTLIER -58.86 -16.7 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.31 -33.29 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -51.5 -36.92 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 87.8 23.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.621 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 21.9 m -90.3 23.18 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.424 ' CE2' ' CD1' ' A' ' 106' ' ' LEU . 1.4 m-85 -126.72 124.41 39.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 43' ' ' PHE . 46.7 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.467 0.175 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.35 -169.01 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.233 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.503 ' CG2' ' OD2' ' A' ' 14' ' ' ASP . 1.3 mm -100.25 127.06 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.54 6.34 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 6.1 mttm -148.89 116.64 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' PHE . 8.8 p30 -50.92 -45.55 60.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.36 -56.12 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -49.77 -37.19 28.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.684 ' CE1' ' CD1' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -75.23 -42.94 54.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.92 -40.17 96.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -50.3 -42.93 53.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.7 mt -60.11 -65.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -53.69 -16.43 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -73.74 -87.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -98.86 -20.75 16.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -36.54 157.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.548 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 1.3 p-80 -121.24 118.51 29.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.549 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.628 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 62.2 p -97.8 155.92 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 16.7 m -123.41 -144.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 25' ' ' VAL . . . 160.81 131.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 30' ' ' PHE . 3.8 p30 -89.06 -95.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.38 -40.39 2.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.77 23.99 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 2.5 t80 -147.41 156.97 43.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -146.7 133.83 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -120.73 125.06 73.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.628 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 3.3 m-85 -95.35 122.34 37.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' HIS . 43.0 p -140.05 154.94 47.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 8.3 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.675 ' CG ' ' CG2' ' A' ' 77' ' ' ILE . 1.6 p90 -112.62 84.81 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -34.85 125.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mt -123.27 89.24 3.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.77 169.55 13.75 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.499 1.124 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -119.23 119.85 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 109.212 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.479 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 59.7 m -122.79 129.71 52.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.7 t -132.03 158.1 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.3 t -94.32 165.35 12.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -100.78 1.6 40.41 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.09 -15.3 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.05 -109.95 0.33 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -101.99 -179.36 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 109.247 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.66 -23.46 60.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -65.99 -21.98 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.7 mt -84.45 -39.7 18.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -8.98 58.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.1 m-20 -92.66 -41.51 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -32.8 67.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -41.39 51.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -16.12 45.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 11.3 ttt180 -68.68 -48.33 64.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.62 -9.74 59.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.478 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -93.7 -26.1 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -9.81 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -109.1 -9.76 15.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.75 -36.46 15.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' LYS . 10.5 m-85 -66.8 -46.74 74.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -62.71 -52.6 62.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 73' ' ' HIS . 8.6 p -60.22 -52.32 62.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.408 1.067 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.464 ' N ' ' CG1' ' A' ' 72' ' ' VAL . 94.0 m-70 -84.44 17.22 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.581 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' PHE . 5.2 ttpt -60.31 -47.23 86.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.4 m -83.09 -9.82 59.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 2.3 m-70 -90.72 -26.82 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.585 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.675 ' CG2' ' CG ' ' A' ' 43' ' ' PHE . 1.6 mp -83.07 145.56 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -120.82 154.44 35.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -39.16 126.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 2.0 mttp 162.26 110.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -45.84 124.44 5.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.567 ' CD1' ' C ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -141.51 159.41 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.684 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 18.6 mt -157.0 115.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.3 m -90.38 114.34 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.605 1.191 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -114.59 143.51 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -94.98 119.66 33.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -52.87 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.355 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -85.27 -58.2 0.35 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 7.78 2.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 29' ' ' GLN . . . -82.99 7.71 14.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -13.47 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -90.82 -6.01 54.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.411 ' SD ' ' CD ' ' A' ' 29' ' ' GLN . 6.8 mtm -72.09 -176.2 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 98' ' ' ILE . 14.4 p -154.38 160.05 41.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -44.63 -22.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.451 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.1 tm? -76.87 -45.42 28.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 94' ' ' THR . 26.1 mt-30 -82.27 -43.35 17.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 94' ' ' THR . 10.1 mt -49.04 -37.16 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -74.89 -38.63 61.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.597 1.186 . . . . 0.0 110.328 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -75.61 -13.84 60.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' GLN . 30.7 m -73.17 -49.48 27.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -16.35 57.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.04 -3.14 21.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.514 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.9 OUTLIER -133.9 -75.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.575 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 4.2 p -41.13 -51.04 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.732 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -68.18 -40.72 82.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -58.42 -21.34 50.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.9 mt -90.8 -38.51 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -42.18 -33.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 7.8 tptm 88.56 17.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.732 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 31.1 m -92.4 27.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.3 OUTLIER -133.91 122.88 23.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 112' ' ' PHE . 17.2 m-80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 2.1 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.435 0.16 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.53 168.68 19.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 mm -99.73 -167.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.52 -34.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.51 166.93 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.385 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 16' ' ' GLN . 5.2 m-80 -78.89 -50.1 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -41.62 -58.54 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -45.88 -39.92 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.615 1.197 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.2 m-85 -77.28 -40.96 42.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 20' ' ' LYS . 1.1 mt-30 -65.6 -35.53 81.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 20' ' ' LYS . 10.9 tpp180 -41.68 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -46.14 -56.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 5.0 m-85 -55.37 -15.86 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.58 1.175 . . . . 0.0 111.009 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -72.96 -80.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 2.56 10.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -51.61 170.62 0.36 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.143 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.533 ' NE2' ' CG1' ' A' ' 25' ' ' VAL . 10.9 t60 -108.49 100.8 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 109.554 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 p -89.61 144.47 25.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.533 ' CG1' ' NE2' ' A' ' 23' ' ' HIS . 30.8 m -138.18 139.26 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.48 123.54 28.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.596 ' N ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -74.2 -96.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.53 ' N ' ' ND2' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -123.25 -37.31 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' NE2' ' CG ' ' A' ' 93' ' ' MET . 2.9 mt-30 -144.11 50.13 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.4 t80 177.89 143.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -133.85 130.87 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.424 1.077 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.0 m -120.26 138.41 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CD2' ' CD1' ' A' ' 19' ' ' TYR . 5.8 m-85 -109.28 133.13 53.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.5 p -144.86 156.77 44.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 108.363 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.728 ' CD2' ' CG2' ' A' ' 77' ' ' ILE . 45.8 p90 -78.32 108.7 11.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 82' ' ' ILE . 4.4 mtm180 -79.8 114.18 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.687 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -89.17 121.47 31.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.67 132.84 7.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.598 ' CD1' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -104.76 134.02 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.47 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 66.1 m -144.37 134.72 24.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 50' ' ' SER . 42.3 t -139.95 161.9 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.432 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 26.9 t -94.07 163.33 13.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.79 0.83 33.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.597 1.186 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -103.88 -17.68 14.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CD2' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.36 -68.74 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.16 -113.92 0.55 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.552 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -95.27 -158.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.95 -19.68 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 p -63.81 -37.19 79.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.552 ' CD1' ' O ' ' A' ' 55' ' ' ASN . 0.8 OUTLIER -82.7 -22.28 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -88.8 -12.63 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -87.9 -38.62 15.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -37.74 71.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.479 ' CD1' ' CD2' ' A' ' 53' ' ' LEU . 71.7 mt -69.61 -26.6 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' ILE . 0.3 OUTLIER -90.21 -63.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.535 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 6.4 ptm180 -38.26 -44.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -63.45 -47.76 80.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LYS . 47.2 mt -50.07 -47.19 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -85.55 13.0 7.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -104.1 -28.64 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -99.44 -55.15 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.687 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -31.27 -39.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ASN . 4.8 tptt -57.52 -66.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.2 m -54.92 -37.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.474 ' CE1' ' CD2' ' A' ' 106' ' ' LEU . 46.9 m-70 -71.05 -19.89 62.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 109.54 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -66.33 -18.05 65.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.4 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.31 36.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 77' ' ' ILE . 0.6 OUTLIER -175.35 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.728 ' CG2' ' CD2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -44.9 141.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.59 ' CD1' ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.19 178.4 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.547 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -66.92 130.35 42.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 159.76 112.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -47.78 121.07 3.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.486 ' O ' ' CG1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -127.9 156.35 39.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.486 ' CG1' ' O ' ' A' ' 82' ' ' ILE . 30.7 mt -155.47 126.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.6 m -106.99 125.13 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.47 ' CG2' ' CB ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -123.0 146.59 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -81.74 113.11 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 86' ' ' ALA . 6.5 mmt180 -34.61 -91.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.78 -57.7 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.369 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 4.68 4.51 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.49 21.34 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -18.71 56.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.79 23.24 14.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.48 ' CG ' ' NE2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -81.36 -165.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 97' ' ' GLN . 1.6 p -154.88 145.31 22.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.473 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 1.3 m -43.63 -24.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' A' ' 94' ' ' THR . 0.9 OUTLIER -73.72 -49.17 26.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 94' ' ' THR . 2.7 mm-40 -66.35 -37.94 86.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 mt -55.88 -42.26 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 95' ' ' THR . 2.4 mm-40 -65.76 -31.87 73.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.43 -34.14 60.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.52 ' CB ' ' OD1' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -75.18 -51.71 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -54.0 -34.16 59.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.81 -1.48 9.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -122.95 -73.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 2.7 p -46.92 -52.02 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.579 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -68.9 -40.93 78.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -54.81 -43.59 73.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 104' ' ' HIS . 16.1 mt -68.67 -36.34 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -41.81 -37.29 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 84.11 30.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.579 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 4.6 m -84.26 6.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.57 ' CE2' ' CE1' ' A' ' 76' ' ' HIS . 15.2 m-85 -106.51 124.87 50.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.59 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 19.4 m-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.519 0.2 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.94 121.48 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mm -70.98 76.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 -28.94 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.12 153.77 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.1 t-20 -75.67 -28.09 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.371 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.67 -41.94 67.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.84 -26.0 67.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 13.2 m-85 -88.77 -33.17 17.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' ASN . 2.3 tt0 -76.78 -48.05 19.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -38.98 -46.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 mt -69.95 -56.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 15' ' ' PHE . 10.1 m-85 -48.78 -22.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.65 13.97 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -59.03 176.83 2.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.548 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 7.3 p-80 -122.44 111.26 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.618 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 p -95.98 158.31 15.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' VAL . 13.9 m -143.0 125.07 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.81 104.62 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' A' ' 30' ' ' PHE . 8.6 p30 -54.13 -88.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.243 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.457 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 18.5 mmt85 -124.32 -43.12 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.43 ' OE1' ' CB ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -140.71 9.98 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -133.31 138.11 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -112.43 134.51 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -115.99 99.56 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 83' ' ' ILE . 6.0 m-85 -80.8 93.02 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.55 159.01 20.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 16.3 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.237 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' PHE . 1.8 p90 -116.93 128.62 55.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.428 ' CD ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -126.33 102.76 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.651 ' CD1' ' CD2' ' A' ' 70' ' ' PHE . 52.4 mt -80.59 138.2 36.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.24 167.8 18.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.4 mp -137.52 110.51 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 0.823 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.22 142.11 51.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 0.0 110.092 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 50' ' ' SER . 83.1 t -122.23 168.67 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.432 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -94.08 171.28 8.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -108.63 -0.21 20.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -106.09 -19.92 13.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CD2' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -38.99 -71.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.38 -114.1 0.58 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -97.33 177.2 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.82 -24.68 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.72 -39.25 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.19 -43.67 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.424 ' CG ' ' CG2' ' A' ' 49' ' ' VAL . 2.1 tmt_? -67.07 -12.95 61.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -87.05 -36.72 18.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.355 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -37.19 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.453 ' CD1' ' CD2' ' A' ' 53' ' ' LEU . 12.8 mt -76.14 -26.65 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' ILE . 81.6 tttt -87.85 -59.48 2.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -49.12 -30.8 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.32 -26.51 38.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -79.96 -18.97 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -8.61 20.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -106.79 1.88 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.49 ' ND2' ' NE2' ' A' ' 73' ' ' HIS . 8.5 t-20 -117.94 -69.13 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.405 1.066 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.651 ' CD2' ' CD1' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -38.79 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASN . 13.3 mmmt -51.14 -21.82 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 69' ' ' ASN . 2.6 m -98.01 -42.24 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.257 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.49 ' NE2' ' ND2' ' A' ' 69' ' ' ASN . 10.6 m-70 -68.17 -17.19 64.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.198 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' PHE . 6.4 tttp -70.78 -15.35 62.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.222 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 t -100.98 38.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.871 ' CE1' ' CE1' ' A' ' 112' ' ' PHE . 0.3 OUTLIER -169.4 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.619 ' N ' ' CD2' ' A' ' 76' ' ' HIS . 0.6 OUTLIER -45.71 138.85 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.58 ' CD1' ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -113.94 179.53 3.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.559 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -52.84 130.54 33.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.232 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 159.34 112.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -67.97 93.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.479 ' O ' ' CG1' ' A' ' 83' ' ' ILE . 1.1 pp -105.2 172.59 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.584 ' CG2' ' CD1' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -171.38 114.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.53 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 1.4 m -91.99 134.64 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.584 ' CD1' ' CG2' ' A' ' 83' ' ' ILE . 0.7 OUTLIER -119.31 149.7 21.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -90.59 103.64 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -46.78 175.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 110.238 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.5 OUTLIER -74.0 -48.87 6.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.4 Cg_endo -74.98 5.8 3.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.32 -1.49 26.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -15.65 57.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.32 13.36 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.5 ttp -101.99 146.85 27.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 p -104.77 148.31 26.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.377 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -49.47 -22.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.86 -40.56 91.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.59 -22.77 46.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 101' ' ' SER . 19.1 mt -60.11 -57.96 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -55.05 -33.5 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -83.06 -8.04 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.214 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.466 ' CB ' ' ND2' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -96.62 -51.18 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.977 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' A' ' 106' ' ' LEU . 0.9 OUTLIER -53.27 -30.77 40.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.88 1.96 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.591 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.8 OUTLIER -123.29 -70.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 11.9 p -43.95 -57.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.687 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -65.86 -41.45 91.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.223 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -42.13 60.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.17 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.9 mt -71.42 -37.94 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.229 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.569 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -42.58 -40.9 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 29.1 tttm 93.53 22.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.687 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 12.3 m -88.12 26.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.871 ' CE1' ' CE1' ' A' ' 76' ' ' HIS . 9.9 m-85 -114.6 122.06 45.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.58 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 13.7 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.518 ' CB ' ' O ' ' A' ' 43' ' ' PHE . 6.8 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.533 0.206 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 10' ' ' LYS . 6.3 mtm-85 -72.68 117.53 14.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mm -43.05 95.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ARG . 4.4 mtpt -105.85 4.08 29.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 141.26 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 15' ' ' PHE . 1.2 m120 -60.93 -59.85 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -44.99 -54.93 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -45.91 -33.66 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -84.38 -42.97 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.62 -29.86 70.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -60.09 -40.02 88.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.03 -67.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -44.55 -25.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -72.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -46.02 2.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.78 108.74 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.607 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 6.8 t-160 179.8 58.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 109.596 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.3 p -109.21 161.73 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.573 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 22.3 m -137.88 125.48 29.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.85 132.35 53.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.524 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 11.8 p-10 -107.74 -145.23 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.524 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -35.52 -70.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.454 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -143.89 27.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -132.69 151.62 51.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 85' ' ' ILE . 1.2 m -135.53 142.89 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.573 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 12.1 m -127.26 133.27 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' ILE . 18.0 m-85 -111.33 133.03 53.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.2 p -137.19 176.66 8.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 110.461 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.301 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.458 ' CD2' ' N ' ' A' ' 42' ' ' HIS . 2.9 m170 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' TYR . 3.1 p90 175.1 165.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 111.046 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 -174.7 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.652 ' CD1' ' CD1' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -168.15 105.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.14 -69.99 1.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt 75.33 111.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.533 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -134.83 168.49 18.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 48' ' ' SER . 3.1 t -159.81 148.21 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.3 t -93.82 159.43 15.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -94.3 -2.51 52.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -17.59 35.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 2.3 mt -48.83 -66.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.13 -99.68 0.14 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.442 1.089 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.98 -167.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.749 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.58 -22.27 18.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.14 -23.31 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 1.7 pp -86.03 -36.92 19.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.551 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.41 -7.48 53.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.232 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -91.95 -28.58 17.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -33.08 19.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 37.2 mt -68.94 -36.38 73.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' CD ' ' C ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -85.12 -40.26 16.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 11.1 ttt180 -56.31 -63.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.43 -31.65 62.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 62' ' ' ILE . 1.7 mt -57.28 -41.8 78.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -93.96 9.34 37.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -99.27 -17.15 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -115.74 -5.14 12.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.652 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -99.34 -31.58 11.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -9.46 41.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.92 -49.79 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.372 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 76' ' ' HIS . 79.1 m-70 -79.33 -0.58 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.686 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' PHE . 1.5 ttpt -42.74 -37.78 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.51 -26.96 21.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 73' ' ' HIS . 17.3 m-70 -67.05 -44.51 80.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.516 ' CD1' ' N ' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -56.78 155.68 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.85 170.91 8.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . . . -62.07 105.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER 177.65 103.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.6 t70 -33.53 123.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -128.55 143.33 41.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 82' ' ' ILE . 16.3 mt -156.63 110.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.54 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 6.8 m -97.69 130.65 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.54 ' CD1' ' C ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -120.07 163.88 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -97.49 111.44 23.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.1 mmm180 -33.93 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.578 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 5.1 tp60 166.16 -46.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.03 4.97 4.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.367 1.719 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -90.99 18.48 6.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.378 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.2 -8.74 48.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.64 31.39 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.454 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -88.41 -170.17 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 p -155.89 160.09 39.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 110.362 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -52.76 -17.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.464 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -80.81 -49.45 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -70.3 -33.39 71.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.0 mt -58.33 -52.92 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.02 -37.8 86.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.73 -31.47 72.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 104' ' ' HIS . 67.5 m -69.35 -46.64 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -26.84 25.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -2.3 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.51 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.9 OUTLIER -133.97 -75.02 0.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.093 . . . . 0.0 109.578 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.539 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 5.2 p -36.64 -56.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.654 ' C ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -70.32 -39.31 74.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -53.25 -21.06 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.364 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.419 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 4.8 mt -91.64 -35.72 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -58.74 -38.24 77.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 81.48 27.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.285 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.2 m -91.3 24.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 112' ' ' PHE . 2.0 p90 -137.85 116.96 12.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 112' ' ' PHE . 72.9 m-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.812 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.504 0.192 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.36 144.38 46.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 10' ' ' LYS . 1.1 mt -134.07 123.15 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 4.5 tttt -37.04 -36.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 91.4 -13.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' GLN . 56.1 m-20 -113.84 -95.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.54 -41.03 63.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.47 -25.54 68.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.684 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 0.5 OUTLIER -89.62 -38.2 14.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 12' ' ' ASN . 2.3 mt-30 -65.82 -45.03 83.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -21.77 7.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.0 mm -84.67 -59.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.568 ' CD2' ' CE2' ' A' ' 33' ' ' TYR . 21.0 m-85 -61.59 -14.02 26.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -55.01 -79.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -127.42 12.93 7.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.25 -178.73 7.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.446 ' CD2' ' CG1' ' A' ' 25' ' ' VAL . 2.4 t-160 -118.11 109.57 16.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.529 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 49.6 p -93.82 140.78 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.083 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' CG1' ' CD2' ' A' ' 23' ' ' HIS . 34.8 m -132.15 124.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.27 130.6 55.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.454 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 19.2 t-20 -85.45 -94.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -111.61 -55.42 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.431 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -132.35 14.12 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.367 1.042 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -123.63 145.12 49.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.13 114.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.408 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 27.0 m -113.4 114.35 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.568 ' CE2' ' CD2' ' A' ' 19' ' ' TYR . 5.5 m-85 -93.86 137.0 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.5 p -137.15 162.69 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' A' ' 42' ' ' HIS . 2.9 m-70 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.812 ' CZ ' ' CE1' ' A' ' 7' ' ' TYR . 29.2 p90 -58.75 174.76 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.517 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -131.88 163.39 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.78 98.03 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.83 -57.38 1.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp 74.35 111.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 109.332 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.574 ' OG ' ' CE2' ' A' ' 15' ' ' PHE . 4.4 m -140.86 173.28 11.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.47 -156.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.8 t -101.54 172.08 7.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.58 -3.27 55.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -19.42 12.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' CD2' ' CD2' ' A' ' 58' ' ' LEU . 1.8 mt -79.6 -101.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 42.35 85.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.492 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -156.5 -165.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.57 -20.25 9.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 p -85.54 -32.41 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -88.16 -43.56 11.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 63' ' ' LYS . 15.6 mtp85 -66.26 -6.6 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.2 m-20 -95.15 -18.6 20.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -115.27 -12.07 11.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.451 ' CG2' ' CB ' ' A' ' 86' ' ' ALA . 51.9 mt -108.25 -31.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 59' ' ' ARG . 1.1 ttpp -97.47 -4.97 37.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 ttt85 -86.89 -50.76 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.87 -16.83 63.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -79.31 -30.33 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 11.13 30.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -115.72 -0.63 12.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.71 -61.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -50.21 -18.28 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -46.14 90.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -81.73 -43.62 19.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 76' ' ' HIS . 75.2 m-70 -72.39 -3.99 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.684 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -48.37 -27.04 2.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -102.42 -17.32 15.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 2.1 m170 -83.9 -14.87 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.9 146.11 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.74 173.31 6.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.378 1.049 . . . . 0.0 109.257 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' O ' ' CD ' ' A' ' 80' ' ' LYS . . . -53.26 122.96 10.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER 171.24 108.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.2 t0 -39.98 105.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.529 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.3 OUTLIER -103.98 144.89 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.684 ' CG2' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -144.67 83.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 16.6 m -73.56 98.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -102.49 159.3 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.511 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -106.94 117.99 35.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.511 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -49.75 -170.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.41 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -82.76 -56.76 0.48 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.1 Cg_endo -75.07 10.51 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.547 1.814 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 29' ' ' GLN . . . -85.55 19.62 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -90.04 -38.22 13.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.08 25.59 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.1 ttp -99.84 152.72 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 97' ' ' GLN . 7.9 p -110.9 146.17 37.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -47.05 -22.6 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.38 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 1.8 tm? -65.39 -38.77 91.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.7 mt-30 -78.55 -30.51 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 61' ' ' LYS . 97.2 mt -63.41 -56.89 14.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -56.73 -24.23 48.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 96' ' ' LEU . 50.9 m-20 -90.49 -15.45 30.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -92.84 -47.72 6.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.0 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 106' ' ' LEU . 0.2 OUTLIER -52.7 -33.26 46.86 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -0.91 12.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.607 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -128.02 -72.08 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.628 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.489 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 2.6 p -44.32 -50.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.68 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -70.31 -39.42 74.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -52.79 -40.64 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.564 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 45.3 mt -74.18 -36.85 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -38.56 -30.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.1 OUTLIER 88.12 14.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.68 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 33.6 m -93.15 29.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 113' ' ' ASN . 1.2 m-85 -124.7 115.5 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.65 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.52 0.2 . . . . 0.0 111.028 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.63 123.67 49.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -88.83 -157.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.406 1.066 . . . . 0.0 109.238 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER 160.26 -27.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.367 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.67 153.44 27.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.0 m-20 -79.69 -22.92 42.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.48 -53.02 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.413 ' CB ' ' CG2' ' A' ' 9' ' ' ILE . 6.6 m-20 -63.26 -28.65 70.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.507 ' CE2' ' CG2' ' A' ' 83' ' ' ILE . 1.6 m-85 -84.77 -19.27 32.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -90.9 -46.2 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.58 -30.86 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.84 -48.23 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.647 ' CZ ' ' CZ ' ' A' ' 33' ' ' TYR . 5.8 m-85 -67.99 -8.67 39.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -64.47 -83.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.96 13.57 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.31 -157.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -136.93 93.33 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.573 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.8 p -97.54 136.81 37.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.08 . . . . 0.0 110.056 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.488 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 17.7 m -103.97 -175.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -177.51 126.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 2.5 p30 -83.66 -89.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -122.51 -46.59 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -138.14 18.72 2.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.531 ' O ' ' CG2' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -137.61 131.56 31.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.7 128.59 63.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.488 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 17.5 m -116.21 105.8 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.647 ' CZ ' ' CZ ' ' A' ' 19' ' ' TYR . 7.9 m-85 -78.75 123.02 26.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.9 p -137.84 150.34 47.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.268 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.65 ' CE1' ' CD2' ' A' ' 7' ' ' TYR . 32.9 p90 168.88 110.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 82' ' ' ILE . 40.0 mtt-85 -65.66 84.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.31 98.63 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.59 138.99 15.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -120.31 128.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 1.4 m -136.21 167.12 21.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 48' ' ' SER . 39.5 t -154.48 173.05 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.412 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 30.1 t -93.02 162.5 14.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.054 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -99.23 1.62 44.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -107.51 -17.35 14.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD2' ' CB ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -39.98 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.25 -114.36 0.5 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.586 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -92.9 -172.31 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.65 -24.5 27.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.373 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 p -57.66 -40.74 76.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -73.95 -28.69 61.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.503 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -77.74 -11.55 59.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -90.67 -36.38 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' O ' ' OG1' ' A' ' 95' ' ' THR . 2.4 tttp -75.79 -10.34 59.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 90' ' ' ALA . 66.2 mt -98.12 -32.22 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -35.65 15.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -68.46 -33.76 74.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.52 ' CB ' ' OG1' ' A' ' 95' ' ' THR . . . -59.67 -42.34 92.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.3 mt -56.32 -45.89 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -2.94 22.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -23.58 14.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.236 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -108.83 -61.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -17.93 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -51.17 63.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.479 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 5.2 m -74.54 -40.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.188 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -77.05 0.54 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -52.92 -45.06 67.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.15 10.58 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.587 1.179 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.529 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.7 OUTLIER -113.24 -30.28 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.626 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -75.99 153.56 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -122.46 174.55 6.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.53 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -59.78 136.45 58.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 1.3 mtpm? 161.96 127.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -63.61 97.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.442 ' O ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -115.76 152.75 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.507 ' CG2' ' CE2' ' A' ' 15' ' ' PHE . 22.6 mt -152.45 106.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' ' CG1' ' A' ' 32' ' ' VAL . 2.0 m -92.16 127.07 44.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.5 mp -115.09 167.97 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.552 ' O ' ' N ' ' A' ' 88' ' ' GLN . . . -90.75 42.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.5 tpt180 33.97 -92.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -169.84 -56.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.1 Cg_endo -75.01 6.94 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.545 1.813 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' O ' ' CD1' ' A' ' 62' ' ' ILE . . . -78.02 42.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.455 ' CB ' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -120.41 -0.2 10.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -122.9 12.28 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -117.22 161.43 19.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' GLN . 7.4 p -112.83 157.45 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.52 ' OG1' ' CB ' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -47.44 -21.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -72.5 -39.97 67.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.2 mt-30 -81.91 -34.66 29.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.453 ' CG2' ' CB ' ' A' ' 65' ' ' ALA . 2.0 tt -66.29 -42.9 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 95' ' ' THR . 3.2 pt20 -71.09 -28.94 64.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -73.32 -20.8 60.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.374 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.35 -23.55 13.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.916 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.43 -33.5 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 1.9 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.576 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -115.15 -70.54 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 109.566 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 4.8 p -43.89 -49.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.662 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -67.44 -39.32 85.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -23.77 58.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.2 mt -90.7 -21.01 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.27 -26.96 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt 80.9 17.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.662 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 6.5 m -91.1 26.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.3 OUTLIER -128.05 118.75 24.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' PHE . 69.6 m-80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.758 ' CD2' ' CZ ' ' A' ' 43' ' ' PHE . 5.2 m-30 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.479 0.181 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.71 132.77 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.45 ' C ' ' N ' ' A' ' 11' ' ' LYS . 5.1 mt -105.5 114.83 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -39.57 -29.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 91.07 -9.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.206 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.7 m-20 -121.54 -89.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.41 -47.92 62.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.467 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -58.81 -23.33 60.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.669 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -94.0 -33.44 13.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' ASN . 4.9 pt20 -68.68 -41.87 78.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 16' ' ' GLN . 86.0 mtt180 -59.14 -22.92 61.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.548 ' CD1' ' N ' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -82.15 -59.69 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.605 ' CD1' ' CE2' ' A' ' 33' ' ' TYR . 9.4 m-85 -60.42 -13.54 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 -15.95 14.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.31 165.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 8.1 p-80 -115.69 106.86 14.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.607 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.652 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 16.5 p -89.99 141.6 28.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.477 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 3.8 m -128.63 151.72 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.1 139.17 33.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 9.1 p30 -89.65 -81.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.459 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -123.08 -49.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 2.9 pm0 -140.09 9.82 2.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' O ' ' CG2' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -131.75 136.15 47.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.14 148.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.477 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 15.4 m -130.86 113.49 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.652 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 5.0 m-85 -87.23 118.07 26.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 p -141.8 155.22 45.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 44.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 108.283 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.758 ' CZ ' ' CD2' ' A' ' 7' ' ' TYR . 45.1 p90 -54.84 -166.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.06 126.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.545 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -99.1 138.43 36.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.19 -46.87 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt 71.75 139.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.484 ' OG ' ' CE2' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -148.98 140.73 23.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 50' ' ' SER . 2.0 t -146.66 159.6 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 23.9 t -93.38 160.16 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 2.92 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -100.13 -14.84 18.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 88' ' ' GLN . 28.1 mt -43.71 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.51 -116.84 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -174.34 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.98 -22.73 22.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.13 -29.26 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 2.7 pp -88.38 -39.57 14.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.55 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -73.11 -5.33 38.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -94.13 -34.67 12.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -36.12 60.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 85.3 mt -64.07 -32.56 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -92.01 -48.03 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' ASN . 7.3 ttt180 -50.45 -68.56 0.16 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.43 -25.72 10.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 1.0 OUTLIER -68.13 -39.54 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 4.15 50.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 110.233 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.44 -4.7 14.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.416 ' OD1' ' CD ' ' A' ' 99' ' ' GLN . 2.5 t30 -120.75 -3.99 9.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -98.8 -33.27 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -53.37 -23.07 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.203 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.5 m -91.99 -39.25 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.593 1.183 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.554 ' ND1' ' NE2' ' A' ' 76' ' ' HIS . 24.2 m-70 -74.59 -12.36 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.562 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.41 -6.56 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.2 -11.47 26.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.554 ' NE2' ' ND1' ' A' ' 73' ' ' HIS . 0.8 OUTLIER -134.36 17.82 3.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.722 ' CG2' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -80.93 142.51 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.736 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.55 156.41 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -39.27 114.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER 172.4 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -34.42 96.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -87.93 113.25 24.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.669 ' CG2' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -140.51 98.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.8 m -90.94 114.76 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.599 ' CD1' ' CD1' ' A' ' 33' ' ' TYR . 2.1 mp -102.46 149.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -94.69 118.21 31.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' ALA . 2.1 tpt180 -59.24 -146.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.479 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -86.85 -58.92 0.28 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.337 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 6.54 3.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.797 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.73 -13.95 38.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.372 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -25.04 31.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.44 -5.47 57.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.465 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -74.89 -172.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.44 ' C ' ' N ' ' A' ' 96' ' ' LEU . 1.5 p -156.84 160.99 39.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -49.06 -17.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 94' ' ' THR . 3.0 tm? -83.0 -45.9 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' C ' ' N ' ' A' ' 99' ' ' GLN . 36.3 mt-30 -72.49 -40.75 66.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -44.91 -25.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 97' ' ' GLN . 4.1 mm100 -88.12 -43.3 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -67.01 -9.77 42.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -89.73 -66.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.21 -44.82 11.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -47.41 -27.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -111.21 -75.82 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.523 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 7.9 p -36.86 -54.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.563 ' C ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -63.16 -45.3 92.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' HIS . 6.0 tmtt? -49.52 -26.2 3.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.241 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.422 ' CD1' ' NE2' ' A' ' 104' ' ' HIS . 16.7 mt -85.45 -39.19 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -53.69 -39.78 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 3.1 tttm 82.88 31.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.507 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 11.4 m -88.93 20.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.721 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -158.3 137.54 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.505 ' OD1' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.509 0.195 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 172.72 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 mm -124.47 70.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 -19.83 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -87.89 115.96 25.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -42.56 -43.69 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -49.92 -43.43 49.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' LYS . 31.5 m-20 -57.02 -26.84 60.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.8 m-85 -94.46 -37.12 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -71.58 -38.32 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -57.78 -22.53 47.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mm -87.09 -54.33 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.527 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 4.7 m-85 -64.38 -12.79 46.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.07 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -59.59 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.26 12.68 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.34 173.73 3.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.162 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.486 ' NE2' ' CG1' ' A' ' 25' ' ' VAL . 23.3 t60 -117.67 107.34 14.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 0.806 . . . . 0.0 109.626 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.632 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 73.1 p -94.7 139.7 30.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.486 ' CG1' ' NE2' ' A' ' 23' ' ' HIS . 34.1 m -130.32 127.98 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.12 132.5 54.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 2.6 p-10 -85.61 -81.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -53.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.525 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -129.51 -2.68 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.472 ' CB ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -105.55 146.01 30.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.946 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -139.62 105.18 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.473 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 23.0 m -102.38 132.34 48.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.65 ' CD1' ' CD1' ' A' ' 85' ' ' ILE . 3.1 m-85 -105.16 149.57 25.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.433 ' CG2' ' C ' ' A' ' 33' ' ' TYR . 3.9 p -149.79 163.57 37.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 39.2 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 108.261 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 36.8 p90 -46.9 86.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -75.86 91.24 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.61 ' CD1' ' CD2' ' A' ' 70' ' ' PHE . 1.7 mt -78.21 138.39 38.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.508 ' O ' ' CD1' ' A' ' 47' ' ' ILE . . . -118.58 -141.51 6.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -167.81 122.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.401 0.706 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.516 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 54.2 m -140.84 138.11 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 50' ' ' SER . 55.5 t -152.56 168.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.508 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 29.6 t -90.3 160.7 16.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -7.11 23.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -14.23 26.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.96 -114.58 0.3 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.16 -179.91 4.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.54 -22.45 65.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.7 -28.93 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.91 -47.14 60.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -0.07 30.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.7 m-20 -100.39 -31.0 11.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.13 -16.7 34.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.392 1.057 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 90' ' ' ALA . 26.1 mt -88.01 -32.96 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.22 -16.2 25.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.369 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 6.5 ttt180 -79.41 -60.94 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.8 -52.32 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -44.46 56.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ARG . 9.0 mtp-105 -68.58 -7.35 31.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.83 -13.29 14.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -96.03 -55.48 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.61 ' CD2' ' CD1' ' A' ' 45' ' ' LEU . 2.0 m-85 -60.27 -11.77 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.04 -47.4 86.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.461 ' CG2' ' CD2' ' A' ' 73' ' ' HIS . 2.7 m -74.93 -42.74 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.461 ' CD2' ' CG2' ' A' ' 72' ' ' VAL . 74.9 m-70 -78.4 6.42 8.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -55.41 -43.16 75.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.64 -0.25 54.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.7 OUTLIER -102.07 -24.33 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.59 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.616 ' CG2' ' CB ' ' A' ' 43' ' ' PHE . 1.7 mp -82.63 142.07 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.629 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -109.69 169.33 8.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 80' ' ' LYS . . . -61.33 129.71 42.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 9.8 mttt 167.77 118.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -51.25 112.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.381 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.522 ' CG2' ' CG1' ' A' ' 111' ' ' VAL . 1.6 pp -128.59 -169.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER 173.41 130.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.9 m -98.52 108.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.215 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.65 ' CD1' ' CD1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -111.08 147.36 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.576 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -97.88 124.13 42.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.576 ' O ' ' O ' ' A' ' 86' ' ' ALA . 21.6 mmm180 -47.42 -171.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.266 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.516 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.8 OUTLIER -56.32 -50.83 85.37 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.3 Cg_endo -74.99 -97.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.514 ' O ' ' CD1' ' A' ' 62' ' ' ILE . . . 60.08 5.18 0.73 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -96.08 -36.18 11.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -80.67 -0.4 38.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.525 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 6.3 ttp -101.24 140.23 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 97' ' ' GLN . 10.9 p -107.23 151.81 24.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.392 1.057 . . . . 0.0 110.377 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.64 -23.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.6 -38.71 90.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 94' ' ' THR . 20.5 mt-30 -83.85 -17.49 40.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.46 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 81.9 mt -69.55 -58.04 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.27 -16.17 13.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -100.28 -18.02 17.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 104' ' ' HIS . 4.5 m -91.83 -41.19 10.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.442 ' O ' ' CD2' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -52.86 -23.9 7.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.62 1.44 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.523 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.7 OUTLIER -126.26 -75.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 4.3 p -42.19 -52.65 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.686 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -67.04 -39.75 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -56.22 -35.19 67.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.0 mt -79.84 -26.73 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.11 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -49.91 -34.57 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 15.6 tttm 88.11 20.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.686 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 21.9 m -90.84 26.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -127.2 125.38 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.486 ' O ' ' N ' ' A' ' 45' ' ' LEU . 22.4 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.576 0.227 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.45 150.88 29.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 10' ' ' LYS . 18.4 mm -61.05 102.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' ILE . 1.2 tptp -39.34 -44.96 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.423 ' N ' ' OD2' ' A' ' 14' ' ' ASP . 3.6 tptt -161.99 159.31 26.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' PHE . 3.2 t-20 -45.67 -40.46 9.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -40.54 -65.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.517 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 1.8 m-20 -40.42 -37.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.667 ' CE1' ' CD1' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -78.61 -41.61 31.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.054 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 4.7 pt20 -66.69 -44.32 82.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' A' ' 13' ' ' ALA . 2.9 mpt_? -50.88 -24.17 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.517 ' CG1' ' O ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -84.96 -50.09 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -64.43 -13.13 49.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -78.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -127.53 11.41 6.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.239 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.36 167.05 0.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -122.7 106.85 11.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.554 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.662 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 51.6 p -105.36 164.42 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.546 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 24.4 m -137.94 128.45 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.36 131.47 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 6.2 p30 -85.03 -89.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -115.66 -45.74 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' OE1' ' O ' ' A' ' 89' ' ' PRO . 7.6 mt-30 -144.99 14.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.546 ' O ' ' CG2' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -134.09 134.29 42.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.507 ' CG2' ' CD1' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -123.32 149.07 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.546 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 14.0 m -132.63 106.32 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.662 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 4.2 m-85 -80.32 123.01 27.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -139.73 154.17 47.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.424 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.243 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.458 ' N ' ' CB ' ' A' ' 79' ' ' ALA . 1.8 p-80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.434 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 12.9 p90 -103.39 107.51 18.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 111.057 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 82' ' ' ILE . 1.0 OUTLIER -66.79 95.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -77.46 92.2 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.89 -177.18 36.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.413 1.071 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -145.95 131.76 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 0.794 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.6 m -133.88 130.22 37.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 50' ' ' SER . 2.5 t -115.04 162.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -95.32 169.45 10.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.03 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -0.18 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -108.71 -18.84 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -38.66 -69.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.82 -109.76 0.33 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -156.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.423 0.719 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.37 -19.73 13.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.32 -25.88 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -85.77 -25.19 26.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.422 1.076 . . . . 0.0 109.235 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.512 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -87.89 -11.01 48.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.75 -31.4 20.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 -33.06 38.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.5 mt -72.51 -40.73 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.69 -26.21 50.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -72.28 -50.49 26.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 -20.2 65.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.68 -36.91 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -100.13 10.54 41.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.9 -3.38 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.345 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.514 ' O ' ' NE2' ' A' ' 73' ' ' HIS . 9.8 t-20 -121.92 -39.92 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.467 ' CE2' ' CG1' ' A' ' 84' ' ' VAL . 3.7 m-85 -73.67 5.63 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 2.52 28.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 73' ' ' HIS . 1.4 m -108.0 -51.58 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.545 ' CB ' ' NE2' ' A' ' 76' ' ' HIS . 0.5 OUTLIER -85.39 8.85 17.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.573 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -9.13 49.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.47 -39.18 17.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.545 ' NE2' ' CB ' ' A' ' 73' ' ' HIS . 0.9 OUTLIER -103.48 26.02 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -104.14 140.65 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.585 ' CD1' ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -110.35 176.26 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -59.52 -154.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 90.72 116.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.97 121.57 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.198 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -127.12 136.87 59.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.667 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 96.7 mt -146.46 108.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.467 ' CG1' ' CE2' ' A' ' 70' ' ' PHE . 3.5 m -93.67 110.91 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.625 ' CD1' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -102.79 144.17 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -89.99 115.21 27.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -54.76 -164.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -81.11 -54.17 0.73 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.0 Cg_endo -75.08 3.84 5.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.43 1.753 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.19 -15.73 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -56.78 17.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 5.1 m-20 -47.58 -30.66 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.43 128.21 34.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 98' ' ' ILE . 12.9 p -118.74 -171.46 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.467 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 1.3 m -54.43 -15.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -91.05 -45.45 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 92' ' ' ASP . 33.8 mt-30 -78.47 -13.07 60.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -64.7 -54.88 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 95' ' ' THR . 8.7 mt-30 -55.52 -18.34 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.88 -17.9 27.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.435 ' OG ' ' ND2' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -98.31 -51.91 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.977 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.9 -26.2 23.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.82 0.82 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.212 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.489 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.2 t-160 -128.12 -75.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 6.2 p -39.02 -55.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.558 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.82 -40.44 88.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 104' ' ' HIS . 12.7 tttt -57.12 -17.46 10.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.6 mt -95.8 -39.19 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.17 48.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 78.5 33.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.558 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 16.0 m -81.27 4.25 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 112' ' ' PHE . 2.9 p90 -129.03 122.92 31.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.585 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 5.3 p30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.397 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.827 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 11.8 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.484 0.183 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -77.77 118.88 20.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.25 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CG2' ' CD2' ' A' ' 15' ' ' PHE . 13.3 mt -89.96 98.34 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -100.86 4.57 42.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -111.96 161.63 16.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.4 m-20 -89.08 -19.98 24.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -61.86 -50.15 73.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.87 -33.39 74.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.539 ' CD1' ' CD1' ' A' ' 83' ' ' ILE . 1.1 m-85 -80.18 -25.74 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 tt0 -85.12 -37.68 19.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' ALA . 41.2 mtt180 -50.52 -25.5 4.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -88.15 -48.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CE1' ' CD2' ' A' ' 33' ' ' TYR . 7.8 m-85 -64.96 -16.69 63.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -70.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -60.23 -22.66 63.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.36 122.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.592 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 7.4 t-160 179.22 59.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 109.623 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.627 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 2.6 p -97.32 158.87 15.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' VAL . 19.0 m -150.28 128.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.59 106.13 14.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.621 ' OD1' ' CE1' ' A' ' 104' ' ' HIS . 11.1 t-20 -53.68 -96.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.504 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.6 OUTLIER -124.53 -39.81 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.515 ' NE2' ' CG ' ' A' ' 93' ' ' MET . 6.6 mt-30 -139.58 9.78 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.79 144.84 47.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' A' ' 85' ' ' ILE . 1.7 m -116.84 130.1 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -119.96 120.99 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.627 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 4.2 m-85 -109.01 95.53 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.427 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 7.7 p -114.08 147.23 39.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.376 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 m170 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.827 ' CZ ' ' CZ ' ' A' ' 7' ' ' TYR . 54.6 p90 -74.78 108.0 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 82' ' ' ILE . 5.1 mtt180 -86.58 96.78 10.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.478 ' CD1' ' CD2' ' A' ' 70' ' ' PHE . 9.0 mt -77.3 115.04 16.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.03 153.88 19.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.8 mm -135.75 110.49 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 m -141.81 175.24 9.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.978 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.59 -165.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -102.09 168.21 9.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.99 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -4.46 43.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -24.24 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -82.71 -104.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.25 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.44 170.69 2.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 0.73 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.18 -21.51 18.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -81.05 -31.67 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.501 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 4.1 pp -85.34 -45.68 11.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 63' ' ' LYS . 14.2 ttp180 -64.93 -8.44 15.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.1 m-20 -93.01 -14.95 26.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -115.22 -11.28 12.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.437 ' CD1' ' CD2' ' A' ' 53' ' ' LEU . 97.2 mt -108.71 -29.08 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -98.08 -15.95 19.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 8.1 ttt180 -70.51 -52.27 23.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.425 ' CB ' ' CG2' ' A' ' 98' ' ' ILE . . . -71.29 -23.37 61.94 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -72.48 -37.82 58.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 10.12 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.28 -28.54 12.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -108.01 -9.76 15.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.478 ' CD2' ' CD1' ' A' ' 45' ' ' LEU . 2.1 m-30 -81.6 -8.24 59.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.69 -4.12 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -117.34 -45.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 76' ' ' HIS . 86.8 m-70 -76.21 -7.76 55.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -45.21 -31.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -96.21 -21.97 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.942 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 73' ' ' HIS . 3.5 m170 -76.01 -21.78 56.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -95.57 144.29 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.532 ' CD1' ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.91 175.14 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.61 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -55.67 133.61 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.61 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 155.43 110.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -41.75 103.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.455 ' O ' ' CG1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -116.22 148.65 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.539 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 18.3 mt -154.57 114.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.544 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 4.1 m -100.67 94.72 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.501 ' CD1' ' CG2' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -91.07 143.75 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.16 121.26 28.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.506 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -57.1 -161.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.423 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 1.4 tm0? -81.61 -55.83 0.61 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.0 Cg_endo -75.03 6.6 3.31 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.15 -4.72 22.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.445 ' CB ' ' CD2' ' A' ' 53' ' ' LEU . 3.9 ptpp? -83.92 -29.81 26.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.5 0.1 35.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.515 ' CG ' ' NE2' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -75.95 -167.04 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.456 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 63.4 p -150.3 169.12 22.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -9.31 7.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -95.63 -42.34 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -60.72 -58.99 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 61' ' ' LYS . 2.0 mp -37.18 -58.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -53.06 -44.81 67.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 97' ' ' GLN . 39.8 m-20 -68.25 -24.2 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 104' ' ' HIS . 5.1 p -73.69 -56.71 4.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.4 mp -47.49 -34.61 7.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.33 -4.97 6.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 110.343 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.633 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -130.7 -72.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.565 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 11.7 p -39.11 -53.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.689 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -71.89 -40.96 68.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.49 -40.71 27.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 109' ' ' ALA . 54.8 mt -70.84 -45.5 73.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -37.39 -44.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 2.7 ttmt 91.28 24.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.689 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 32.3 m -84.26 17.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.02 119.57 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.532 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.559 0.219 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -73.0 133.17 44.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 10' ' ' LYS . 1.4 mt -101.23 -155.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 161.04 -26.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 139.5 58.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.2 t-20 -59.3 -21.91 60.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.386 1.054 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.7 -67.34 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.516 ' CB ' ' CG2' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -58.56 -16.04 13.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.534 ' CE1' ' OG ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -94.03 -20.61 19.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 tt0 -89.51 -53.19 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -42.63 -26.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.484 ' O ' ' CA ' ' A' ' 22' ' ' GLY . 1.6 mt -90.65 -47.26 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.796 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 4.6 m-85 -68.52 -6.54 25.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -92.24 -79.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.24 -20.95 16.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 18' ' ' ILE . . . -49.96 177.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -139.75 126.3 20.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.573 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -115.31 157.37 23.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.586 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 30.7 m -130.01 124.89 59.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.1 137.1 52.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.215 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.739 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 1.1 p30 -102.94 -59.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.739 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -130.8 -74.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.492 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 1.4 pm0 -124.78 10.25 8.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.511 ' CE2' ' CG2' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -120.65 125.17 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.18 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.53 104.19 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.586 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 16.4 m -91.9 125.14 44.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.796 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 1.4 m-85 -97.56 128.73 44.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.6 p -143.1 141.63 31.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.346 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 108.293 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 43' ' ' PHE . 20.7 p90 -55.13 112.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.51 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 23.9 mtt180 -90.39 -176.02 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.667 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -157.44 113.38 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.99 -60.4 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.495 ' CG2' ' CD ' ' A' ' 63' ' ' LYS . 19.9 mt 70.38 109.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.534 ' OG ' ' CE1' ' A' ' 15' ' ' PHE . 5.7 m -139.38 160.39 39.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 50' ' ' SER . 75.7 t -150.39 166.84 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.465 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 2.3 t -94.72 165.44 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -103.54 2.77 33.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' LEU . 2.7 mttt -110.53 -14.66 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.531 ' O ' ' CD ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -37.12 -73.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.98 -111.19 0.42 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -99.03 177.42 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.51 -25.27 65.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 p -50.86 -41.0 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.522 ' CB ' ' CD2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.89 -44.22 61.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 63' ' ' LYS . 14.3 ttm-85 -66.72 -9.87 40.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.6 m-20 -97.2 -34.76 10.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -76.81 -37.12 56.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.3 -26.66 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.495 ' CD ' ' CG2' ' A' ' 47' ' ' ILE . 11.0 mmpt? -96.89 -18.32 19.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 8.4 ttt180 -81.94 -66.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.26 -41.37 18.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.9 tp -67.05 -33.36 62.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -80.97 -2.13 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.75 -16.48 14.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -100.53 -27.33 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.667 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 1.4 m-85 -78.41 -40.44 35.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -66.44 -42.16 88.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 73' ' ' HIS . 7.7 p -69.93 -51.86 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.472 ' N ' ' CG1' ' A' ' 72' ' ' VAL . 96.1 m-70 -84.3 13.37 5.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.576 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' PHE . 33.5 ttpt -52.08 -36.57 51.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.41 16.89 24.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.509 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 1.2 m170 -120.46 4.96 10.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 73' ' ' HIS . 1.3 mp -113.44 156.1 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.678 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -111.61 176.7 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -78.74 131.62 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 82' ' ' ILE . 1.2 mtpp 163.97 118.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -34.92 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.51 ' CG2' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -111.06 124.54 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' TYR . 23.0 mt -145.29 111.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.511 ' CG2' ' CE2' ' A' ' 30' ' ' PHE . 2.6 m -102.49 128.31 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.548 ' CD1' ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -111.81 158.02 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' A' ' 88' ' ' GLN . . . -89.44 40.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.4 OUTLIER 37.59 -91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 86' ' ' ALA . 1.2 mt-30 -166.59 -59.04 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 91' ' ' LYS . 18.2 Cg_endo -75.01 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 93' ' ' MET . . . -49.42 -21.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -55.55 -20.63 13.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -98.14 15.59 23.85 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.492 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 7.0 ttp -106.97 147.87 29.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 97' ' ' GLN . 1.0 OUTLIER -115.51 150.75 36.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -47.41 -21.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.3 tm? -69.48 -38.59 77.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 101' ' ' SER . 23.3 mt-30 -80.45 -36.83 33.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.421 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 72.4 mt -48.46 -33.75 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -38.06 44.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -70.24 -43.31 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' GLN . 24.4 m -63.66 -49.72 72.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.96 -31.25 50.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.86 -0.45 16.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.543 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.7 t-160 -130.68 -74.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.599 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 9.7 p -35.51 -54.96 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.52 ' C ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -66.46 -41.83 88.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 104' ' ' HIS . 8.6 tttt -48.38 -24.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.602 1.189 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.436 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 13.8 mt -87.66 -41.2 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.97 77.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 74.0 34.67 0.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 28.5 m -90.66 7.28 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.692 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -137.06 119.81 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 112' ' ' PHE . 42.7 m-80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.924 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 17.8 m-85 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.44 0.162 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.55 138.84 40.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mm -68.4 88.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -71.89 -45.4 61.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -89.54 136.28 33.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' GLN . 5.4 m-20 -64.44 -37.24 86.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -47.99 -50.19 28.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -51.84 -32.99 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.54 -41.0 16.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 111.037 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -66.26 -43.78 85.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -46.56 -36.7 7.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.88 -51.33 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.32 -14.03 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.15 -89.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' GLY . 14.0 mttt -126.87 14.96 7.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -51.13 -174.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' THR . 6.7 t60 -130.42 113.66 14.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.631 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.52 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 25.3 p -111.4 151.08 28.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.8 126.35 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.84 139.34 47.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.391 1.057 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.493 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 37.1 p-10 -120.14 -144.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -33.16 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.88 36.71 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.31 149.66 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -138.45 106.56 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 m -102.71 123.13 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.52 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 3.2 m-85 -106.16 122.25 45.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' HIS . 60.9 p -132.53 161.39 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 108.268 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.782 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 43.9 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.924 ' CE2' ' CE1' ' A' ' 7' ' ' TYR . 25.4 p90 47.92 153.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -143.34 99.05 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.378 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.553 ' C ' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.64 137.74 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.65 178.45 21.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -139.56 109.9 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.463 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 40.4 m -126.31 161.06 28.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.929 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 50' ' ' SER . 77.7 t -146.59 167.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.1 OUTLIER -93.45 170.49 9.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.77 -2.59 19.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -103.95 -14.76 15.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -39.15 -78.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.613 1.196 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.15 -109.09 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.081 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -100.03 176.8 5.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.99 -24.34 66.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.94 -41.06 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -69.9 -44.63 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -68.49 -8.26 39.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -98.6 -29.02 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -34.75 22.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.087 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -74.39 -39.72 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -70.37 -58.64 3.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 12.4 ptp180 -49.15 -41.43 36.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.469 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -74.67 -28.11 60.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 mt -74.99 -33.13 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -96.85 10.8 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -121.05 -2.49 9.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -96.54 -63.69 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' LYS . 1.5 m-85 -57.63 -22.61 46.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -52.68 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.609 1.193 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m -75.01 -42.55 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 76' ' ' HIS . 87.9 m-70 -78.56 6.57 8.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 70' ' ' PHE . 15.9 ttpt -47.5 -55.18 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.06 -1.05 18.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.596 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.3 OUTLIER -103.15 -10.57 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.649 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.67 152.2 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.52 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -120.02 148.49 43.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.075 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.16 109.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -178.22 108.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -38.69 123.72 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -140.61 156.73 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 27.2 mt -154.4 107.11 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.3 m -90.03 110.08 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.463 ' CG2' ' CB ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -109.86 163.26 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -115.53 107.19 14.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.619 1.2 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 86' ' ' ALA . 5.4 mtp180 -53.92 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.672 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -78.63 -41.09 1.78 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.5 Cg_endo -74.9 4.71 4.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.752 . . . . 0.0 111.016 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.92 -11.82 60.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.93 -34.62 66.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.39 2.9 23.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.423 ' SD ' ' CG1' ' A' ' 98' ' ' ILE . 2.9 ttp -106.28 130.88 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' GLN . 5.0 p -99.94 153.38 19.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.424 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -46.23 -23.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -68.1 -41.25 82.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' THR . 25.2 mt-30 -80.35 -16.34 54.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.423 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 8.9 mt -65.34 -56.63 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -58.56 -25.99 63.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -90.4 -16.53 28.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 104' ' ' HIS . 17.3 m -89.8 -46.63 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -25.95 17.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.84 -0.01 14.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 110.247 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.3 t-160 -127.35 -75.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 4.6 p -38.78 -52.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.703 ' CD2' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -67.79 -43.53 79.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -54.02 -22.01 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.6 mt -88.32 -33.84 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.577 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -55.18 -37.46 67.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.1 OUTLIER 94.1 19.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 m -97.27 29.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.703 ' CE2' ' CD2' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -132.02 113.42 13.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.52 ' OD1' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.653 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 44.1 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.49 0.186 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -117.21 158.25 24.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.17 111.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -40.93 72.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.39 163.16 40.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -45.13 -47.58 12.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.87 -47.75 21.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.76 -30.6 68.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -82.07 -35.98 28.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' TYR . 1.3 mt-30 -67.16 -53.62 28.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 110.263 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -40.45 -28.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.452 ' O ' ' CA ' ' A' ' 22' ' ' GLY . 1.4 mt -84.31 -48.5 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLN . 5.8 m-85 -62.96 -10.89 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -87.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -34.74 77.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 18' ' ' ILE . . . -61.42 143.96 48.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.525 ' CE1' ' OG1' ' A' ' 34' ' ' THR . 50.8 p-80 -94.73 -154.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 0.73 . . . . 0.0 109.568 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.632 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 78.7 p -174.58 146.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.546 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 21.3 m -121.54 -141.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 25' ' ' VAL . . . 159.64 136.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 6.9 p-10 -96.24 -78.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 28.2 mmt180 -123.66 -55.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.472 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 1.4 pm0 -132.6 -0.7 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.478 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -116.85 148.1 41.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.939 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -134.61 138.81 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.421 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 15.6 m -120.22 120.69 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.632 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 5.7 m-85 -95.81 117.65 30.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.525 ' OG1' ' CE1' ' A' ' 23' ' ' HIS . 70.4 p -125.56 158.64 34.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.7 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 108.28 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.653 ' CZ ' ' CE1' ' A' ' 7' ' ' TYR . 11.2 p90 -102.21 94.59 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -54.75 137.1 45.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.602 ' CD1' ' CD2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -118.12 90.03 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.458 ' O ' ' CG2' ' A' ' 83' ' ' ILE . . . -112.59 133.01 11.09 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mp -113.86 126.86 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.404 0.708 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.419 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -115.85 154.42 29.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.8 t -138.74 151.54 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -93.55 165.33 12.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.934 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -95.16 0.44 54.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.04 -19.91 14.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.478 ' CD2' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -41.66 -73.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.52 -110.74 0.39 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 -167.2 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.43 -22.08 17.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.66 -30.44 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 1.2 pp -80.0 -33.54 39.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.551 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -75.06 -11.31 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.529 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -88.69 -36.3 16.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.07 -12.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -90.76 -33.98 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -89.58 -50.79 5.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -58.23 -17.48 19.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.26 -51.04 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -35.51 75.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -7.16 50.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.24 -43.18 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.503 ' ND2' ' CD2' ' A' ' 73' ' ' HIS . 1.2 t30 -71.09 -57.56 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CD2' ' CD1' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -51.55 -16.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 110.962 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 69' ' ' ASN . 3.6 tptt -79.18 -29.86 43.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -95.44 -41.24 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.503 ' CD2' ' ND2' ' A' ' 69' ' ' ASN . 77.5 m-70 -81.71 6.85 14.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.11 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -49.01 -38.7 24.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.618 1.199 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.7 m -80.34 -18.48 48.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 73' ' ' HIS . 1.6 m170 -87.92 -20.55 25.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.595 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 78' ' ' LEU . 1.3 mp -79.82 164.07 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.627 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -146.29 152.67 39.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.596 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -38.92 131.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.596 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 6.2 mttp 155.19 104.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -41.66 130.27 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.5 ' CD1' ' C ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -143.1 149.91 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.566 ' O ' ' N ' ' A' ' 33' ' ' TYR . 5.1 mt -153.36 116.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.544 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 16.5 m -94.72 130.87 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.544 ' CD1' ' C ' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -119.77 153.71 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -106.49 106.14 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 86' ' ' ALA . 10.6 mtm180 -53.92 -168.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 1.9 mt-30 -75.12 -46.78 4.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.3 Cg_endo -75.06 6.6 3.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.566 1.824 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 62' ' ' ILE . . . -89.8 -3.18 58.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -34.32 60.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.49 22.27 6.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.225 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.472 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 4.8 ttp -97.52 156.74 16.36 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.543 1.152 . . . . 0.0 111.068 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' GLN . 0.8 OUTLIER -118.02 150.12 39.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 1.6 m -47.47 -22.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.66 -40.49 72.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.8 mt-30 -83.06 -10.67 58.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.4 mt -84.96 -44.01 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 95' ' ' THR . 1.4 pt20 -75.17 -10.1 59.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -98.82 -12.15 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 105' ' ' VAL . 58.3 m -88.25 -45.41 10.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' ' CB ' ' A' ' 106' ' ' LEU . 1.4 mp -47.89 -44.46 29.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.25 -22.63 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.629 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -115.73 -74.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.63 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 3.7 p -38.76 -52.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.638 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -63.78 -43.48 96.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 104' ' ' HIS . 1.2 pttt -49.32 -33.7 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.526 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 18.6 mt -77.48 -33.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -52.48 -32.92 42.27 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.2 OUTLIER 84.82 17.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.638 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 5.4 m -95.03 27.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.531 ' CE2' ' CD2' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -124.87 104.82 8.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.437 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.55 ' CE2' ' CE1' ' A' ' 43' ' ' PHE . 9.5 m-85 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.47 0.176 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . 5.6 mtt180 -73.48 134.27 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 2.2 mm -49.81 93.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -81.65 -35.48 29.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 162.77 13.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' PHE . 6.6 m-20 -76.11 -50.78 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -47.19 -51.95 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -49.78 -26.3 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -94.59 -39.81 10.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.923 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.9 pp0? -65.63 -34.37 78.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -60.97 -31.63 71.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' GLY . 5.8 mm -74.33 -65.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -52.58 -18.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 10.68 9.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -47.63 159.97 0.48 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.449 ' NE2' ' CG1' ' A' ' 25' ' ' VAL . 7.3 t60 -112.11 103.05 11.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.23 152.18 25.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.521 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 24.6 m -142.72 125.91 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.22 134.45 55.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.718 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -94.94 -58.16 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.718 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 5.8 mtp85 -128.37 -75.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 0.4 OUTLIER -119.76 -4.62 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.42 155.6 17.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -145.81 105.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.521 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 34.0 m -98.66 134.29 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' ILE . 18.4 m-85 -103.92 131.97 50.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.6 p -147.63 151.69 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 108.347 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 41.0 p90 -79.37 109.06 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 40.9 mtm180 -81.68 108.82 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.84 108.69 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 47' ' ' ILE . . . -115.27 147.0 18.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 46' ' ' GLY . 0.9 OUTLIER -139.25 137.77 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.492 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 1.2 m -142.4 -172.94 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 50' ' ' SER . 3.0 t -162.96 164.18 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.51 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 28.4 t -98.25 162.66 13.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.058 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.1 2.09 48.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -15.66 15.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.11 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.05 -109.4 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 t30 -81.03 -169.95 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 0.729 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.75 -21.01 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -67.81 -32.95 58.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.496 ' CD1' ' CB ' ' A' ' 91' ' ' LYS . 1.4 pt? -81.47 -44.41 17.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -65.36 -11.87 46.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -84.56 -30.35 25.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -31.57 60.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.4 mt -70.74 -26.36 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.24 -38.7 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 60' ' ' ASN . 11.9 ttt180 -57.39 -67.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 69' ' ' ASN . . . -39.67 -42.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -47.71 90.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -70.5 -4.72 24.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -117.8 -2.46 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 65' ' ' ALA . 16.4 t-20 -116.46 -43.91 2.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.01 1.13 18.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 111.055 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -82.51 -37.7 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' NE2' ' A' ' 76' ' ' HIS . 3.0 m -82.49 -40.48 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.52 ' O ' ' CG1' ' A' ' 77' ' ' ILE . 57.5 m-70 -68.73 -4.38 15.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.635 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -17.84 64.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.616 ' C ' ' CD2' ' A' ' 76' ' ' HIS . 5.7 t -94.21 21.91 6.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.947 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.699 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -155.3 28.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.59 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.52 ' CG1' ' O ' ' A' ' 73' ' ' HIS . 0.9 OUTLIER -114.12 161.0 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -129.37 173.6 10.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -63.28 122.5 16.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.327 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 8.2 mttt 166.08 108.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 2.1 p30 -39.34 127.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -133.01 138.61 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' TYR . 2.2 mt -152.88 116.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.536 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 3.5 m -97.56 121.95 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.629 ' CD1' ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -115.86 158.79 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -95.32 102.28 14.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' ALA . 1.5 mmm180 -35.1 -70.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.626 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 168.85 -43.44 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.05 2.98 6.05 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.75 -25.44 59.09 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.496 ' CB ' ' CD1' ' A' ' 58' ' ' LEU . 23.2 pttt -40.59 -38.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -105.49 56.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.48 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 3.8 ttp -135.09 143.65 46.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -100.07 148.14 24.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.384 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -48.94 -23.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.4 -39.53 94.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -79.48 -16.74 55.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 92.6 mt -72.56 -63.86 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.77 -15.92 14.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -85.91 -35.86 20.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 104' ' ' HIS . 1.1 m -80.65 -32.89 36.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -29.7 39.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.11 0.64 15.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.538 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -130.06 -73.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 1.3 p -39.72 -50.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.691 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -72.89 -40.46 65.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -27.33 20.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.0 mt -83.77 -41.69 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -42.22 -31.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 tttt 78.45 35.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.691 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 33.9 m -101.39 4.37 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 106' ' ' LEU . 6.4 m-30 -116.24 122.87 46.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 112' ' ' PHE . 29.4 m-80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.589 ' O ' ' N ' ' A' ' 45' ' ' LEU . 45.2 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.496 0.189 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.7 156.33 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 10' ' ' LYS . 10.5 mt -94.16 -109.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.588 1.18 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER 94.06 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -79.14 130.32 35.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.401 1.063 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' GLN . 14.3 t30 -57.27 -56.08 26.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.64 62.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.493 ' OD1' ' CZ ' ' A' ' 44' ' ' ARG . 56.9 t0 -57.16 -17.9 13.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -102.2 -33.35 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -74.05 -37.14 64.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.6 -27.57 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -89.72 -47.75 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -66.84 -9.52 38.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -61.03 -81.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 22' ' ' GLY . 1.3 mttp -132.81 14.45 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -47.73 176.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.418 1.074 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -115.73 107.82 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.614 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.669 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 82.5 p -95.18 157.43 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.606 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 28.1 m -144.42 124.78 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.369 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.29 138.94 49.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' CG ' ' ND1' ' A' ' 104' ' ' HIS . 6.5 t30 -96.61 -90.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 3.7 mtt180 -113.14 -59.4 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -133.43 16.43 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' O ' ' CG2' ' A' ' 105' ' ' VAL . 0.2 OUTLIER -136.12 138.7 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.95 135.96 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.606 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 18.1 m -119.8 118.34 56.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.669 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 4.5 m-85 -98.89 119.34 37.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.42 1.075 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 p -143.99 168.84 19.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.416 ' C ' ' OD2' ' A' ' 81' ' ' ASP . 1.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 108.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 77' ' ' ILE . 17.9 p90 -101.26 65.64 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' CZ ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -54.63 138.28 41.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -99.63 134.23 42.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.75 98.22 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.1 mm -77.22 115.22 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.503 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 5.2 m -126.77 164.34 21.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 48' ' ' SER . 8.8 t -161.81 147.81 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.9 t -94.72 162.08 13.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.28 -0.58 56.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.39 -19.08 22.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.431 ' C ' ' CB ' ' A' ' 91' ' ' LYS . 2.1 mt -50.84 -77.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.93 -115.9 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -173.0 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.328 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.79 -23.1 42.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 p -62.09 -28.23 44.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.547 ' CD2' ' O ' ' A' ' 91' ' ' LYS . 12.9 mt -78.74 -39.97 34.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -72.0 -4.61 29.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 110.211 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.13 -22.89 15.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.13 -27.78 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.237 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.0 mt -77.88 -29.46 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.511 ' CG ' ' N ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -84.8 -56.98 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.511 ' N ' ' CG ' ' A' ' 63' ' ' LYS . 2.3 ptm85 -43.74 -44.98 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.511 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -50.31 -35.32 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' LYS . 65.1 mt -75.94 -41.85 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -65.79 -11.17 43.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.463 ' OE2' ' CG2' ' A' ' 95' ' ' THR . 1.8 pt-20 -121.22 -3.41 9.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.695 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 15.9 t-20 -111.34 -42.0 4.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -86.7 3.99 42.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.34 2.61 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.637 ' CG1' ' O ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -104.06 -52.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.695 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 8.9 p80 -85.26 10.01 13.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.635 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -68.17 -7.44 30.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -86.48 -39.68 16.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.6 ' CE1' ' CB ' ' A' ' 73' ' ' HIS . 3.0 p-80 -99.65 14.17 31.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.613 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 43' ' ' PHE . 1.3 tp -75.29 158.16 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.631 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.3 143.74 51.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -60.65 134.66 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER 162.24 118.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -33.55 111.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.362 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.549 ' CD1' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -127.04 151.13 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' TYR . 29.8 mt -155.2 129.98 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.481 ' CG2' ' CD1' ' A' ' 66' ' ' ILE . 15.9 m -116.05 109.36 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.503 ' CG2' ' CB ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -113.93 159.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.85 126.34 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -42.84 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 2.5 mt-30 -172.76 -57.09 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.0 Cg_endo -75.12 5.63 3.92 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.554 1.818 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -90.03 22.18 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.547 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -73.8 -37.77 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.244 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.18 44.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.86 -162.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.44 ' C ' ' N ' ' A' ' 96' ' ' LEU . 24.3 p -152.49 148.54 27.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.463 ' CG2' ' OE2' ' A' ' 68' ' ' GLU . 1.3 m -44.87 -23.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -77.58 -47.33 19.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 94' ' ' THR . 1.4 mm-40 -55.14 -50.99 67.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 102' ' ' LEU . 3.5 mp -48.05 -37.69 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -70.42 -36.93 74.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -72.45 -14.33 61.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 104' ' ' HIS . 68.2 m -101.17 -49.56 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.494 ' CD1' ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -53.5 -27.92 28.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -0.23 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.562 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.1 t-160 -132.7 -71.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.613 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 9.9 p -39.27 -52.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.594 ' C ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -64.57 -43.39 94.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 104' ' ' HIS . 9.0 tttt -48.57 -26.41 2.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -83.76 -34.44 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 106' ' ' LEU . . . -64.45 -36.55 84.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 1.182 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.65 52.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.427 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 21.2 m -107.94 -8.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.915 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -112.27 106.17 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.5 ' C ' ' O ' ' A' ' 112' ' ' PHE . 42.5 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 4.2 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.563 0.22 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -94.33 165.19 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.476 ' CG2' ' CD1' ' A' ' 15' ' ' PHE . 14.0 mm -114.88 113.11 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -43.04 -26.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 88.89 -13.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.8 t30 -122.0 -90.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 12' ' ' ASN . . . -48.92 -52.03 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 3.8 m-20 -56.43 -20.21 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.604 ' CE2' ' OG ' ' A' ' 48' ' ' SER . 1.5 m-85 -98.17 -30.69 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.4 pp0? -77.14 -37.01 54.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -11.47 43.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 14' ' ' ASP . 2.8 mm -91.92 -55.41 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.782 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 7.2 m-85 -61.91 -16.01 47.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -131.34 14.81 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.379 1.05 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.15 169.92 42.34 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.522 1.138 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.89 105.42 11.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.727 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.673 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 79.1 p -86.08 156.59 20.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.412 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 34.7 m -142.18 125.03 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -120.72 137.87 54.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.595 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 1.2 p-10 -87.12 -88.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -122.55 -43.58 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -144.75 36.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.595 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 15.6 t80 -161.64 139.11 8.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.525 ' CG2' ' CD1' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -127.99 144.1 38.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.412 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 15.1 m -131.75 105.04 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.782 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 5.7 m-85 -80.79 124.35 28.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' CYS . 40.3 p -141.97 150.05 40.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.463 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 34' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 108.273 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.495 ' N ' ' CB ' ' A' ' 79' ' ' ALA . 6.6 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 49.7 p90 -109.13 118.02 35.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -110.55 78.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.603 ' C ' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -83.38 119.85 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.55 -174.24 27.09 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mt -135.77 113.74 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.604 ' OG ' ' CE2' ' A' ' 15' ' ' PHE . 3.2 m -133.01 161.16 35.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.08 -158.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 t -106.89 174.57 5.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.938 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -1.66 55.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -110.77 -20.49 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.81 -104.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 49.97 98.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 2.2 t30 -171.0 -178.87 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.226 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 60' ' ' ASN . . . -101.69 -21.83 14.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.51 -32.94 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 3.9 pp -83.85 -44.47 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -67.6 -3.5 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.6 m-20 -100.94 -14.9 17.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.97 -8.1 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.564 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 58.0 mt -107.36 -25.66 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -102.19 -30.99 10.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 9.1 ttt180 -62.07 -70.47 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.73 -32.11 59.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.564 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 1.6 mp -66.28 -41.05 88.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.19 1.76 34.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 68' ' ' GLU . 10.1 tt0 -119.84 -0.86 10.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -98.16 -60.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -68.47 -16.01 63.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -44.43 76.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.9 -42.06 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' HIS . 94.6 m-70 -80.01 6.52 11.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -50.48 -45.22 56.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.45 8.95 10.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.9 OUTLIER -109.99 -36.54 5.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.666 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.28 143.92 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.691 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -108.54 171.26 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.495 ' CB ' ' N ' ' A' ' 42' ' ' HIS . . . -59.29 115.09 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 tttp 177.2 113.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.22 103.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -110.76 159.36 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.357 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.57 ' N ' ' CD1' ' A' ' 82' ' ' ILE . 3.0 mt -160.74 112.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 m -94.17 118.61 40.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.67 ' CD1' ' CD1' ' A' ' 33' ' ' TYR . 0.6 OUTLIER -119.32 150.68 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.15 129.59 35.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.646 1.216 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -69.13 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.215 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.521 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 170.29 -50.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.22 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.5 Cg_endo -74.94 2.07 7.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.498 ' O ' ' CD1' ' A' ' 62' ' ' ILE . . . -89.63 43.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -90.72 -46.88 7.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -96.63 29.48 2.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.493 ' O ' ' CG2' ' A' ' 94' ' ' THR . 2.7 ptp -63.18 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.508 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 27.9 p -156.8 147.19 21.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -45.53 -20.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.524 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -83.51 -48.68 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' CG ' ' OG1' ' A' ' 94' ' ' THR . 3.8 mm-40 -46.05 -37.26 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 94' ' ' THR . 4.7 mp -57.54 -69.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.02 -16.19 17.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.41 -31.1 37.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 104' ' ' HIS . 11.9 p -91.18 -54.81 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.045 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 106' ' ' LEU . 0.4 OUTLIER -47.11 -34.14 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -1.78 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.255 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.554 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.9 t-160 -136.91 -74.29 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.4 p -42.04 -41.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.658 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -76.05 -41.08 51.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -52.35 -31.54 33.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.5 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 24.7 mt -82.15 -42.73 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -37.74 -31.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 32.2 tttt 86.79 15.23 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.22 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 7.2 m -91.72 29.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.421 ' CE2' ' CD2' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -136.88 123.05 20.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.981 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.451 ' ND2' ' O ' ' A' ' 76' ' ' HIS . 10.9 p30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.509 0.195 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.38 124.57 51.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -81.6 98.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -112.81 5.89 17.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.26 149.6 23.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLN . 71.9 m-20 -69.65 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -47.33 -48.15 25.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -32.19 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -85.97 -34.79 20.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.4 OUTLIER -72.33 -47.8 46.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -45.15 -25.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.42 ' O ' ' CA ' ' A' ' 22' ' ' GLY . 4.8 mm -87.07 -49.29 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.752 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 5.2 m-85 -71.85 -2.33 17.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 111.056 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -103.91 -86.6 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -80.79 -25.22 38.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 18' ' ' ILE . . . -59.45 167.23 8.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.56 1.163 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' THR . 8.3 t60 -130.89 108.05 9.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.583 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.4 p -93.02 155.98 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.42 135.14 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.95 138.3 54.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 4.6 p-10 -90.0 -82.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.401 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 5.9 mmt180 -123.1 -52.12 1.87 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.43 6.01 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' CD2' ' CB ' ' A' ' 101' ' ' SER . 0.2 OUTLIER -113.98 153.02 30.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.918 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -146.84 110.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.9 m -104.2 120.48 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.752 ' CD2' ' CD1' ' A' ' 19' ' ' TYR . 8.9 m-85 -98.5 110.55 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' HIS . 73.1 p -129.67 170.82 13.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.339 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.496 ' CB ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.607 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 54.8 p90 -64.99 113.69 4.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 80' ' ' LYS . 10.8 mtm180 -72.53 95.03 1.75 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.15 97.28 6.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.25 144.44 15.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.1 mt -132.0 133.53 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.759 . . . . 0.0 109.21 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.52 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 3.1 m -138.33 163.43 31.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.401 ' CG2' ' C ' ' A' ' 48' ' ' SER . 2.2 t -148.55 173.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.8 t -114.37 161.77 17.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -96.29 1.43 52.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -98.66 -14.47 19.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -35.69 -68.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.38 -37.95 0.25 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -172.36 170.65 4.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.32 71.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.218 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 p -67.06 -26.33 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -71.14 -7.89 49.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -95.48 -33.51 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.244 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -69.25 -41.23 77.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.0 mt -69.12 -28.29 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.231 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 66' ' ' ILE . 20.0 tttt -86.05 -63.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 10.7 ptp180 -38.27 -44.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.525 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -69.41 -45.28 69.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -58.06 -27.01 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.58 -1.22 57.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.06 -35.83 8.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 71' ' ' LYS . 5.1 t-20 -75.27 -64.95 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.604 ' CZ ' ' CD1' ' A' ' 82' ' ' ILE . 1.8 m-85 -45.93 -21.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER -59.11 -49.17 78.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -80.91 -40.79 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' HIS . 80.6 m-70 -73.47 -2.54 22.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' PHE . 1.5 ttpm? -47.29 -25.45 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.52 -23.76 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 73' ' ' HIS . 5.2 m170 -72.41 -33.15 66.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.575 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.415 ' CG2' ' CB ' ' A' ' 43' ' ' PHE . 1.5 mp -72.43 154.02 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.712 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -138.89 160.28 40.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -48.83 145.8 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.592 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 26.9 mttt 155.79 -107.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.441 ' OD2' ' CZ ' ' A' ' 44' ' ' ARG . 0.4 OUTLIER -170.66 95.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.604 ' CD1' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -112.99 130.96 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.569 ' O ' ' N ' ' A' ' 33' ' ' TYR . 4.1 mt -151.5 110.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.536 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 10.1 m -100.14 124.27 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.656 ' CD1' ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -114.03 153.85 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -89.75 96.89 10.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -32.3 -69.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.52 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.8 OUTLIER 168.02 -50.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -74.96 6.88 3.11 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.542 1.811 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.35 3.28 40.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -31.3 64.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.59 -16.06 46.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.31 177.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.447 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 64.4 p -123.09 166.79 14.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.59 -8.35 13.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.49 -44.87 6.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' ASN . 1.5 mm-40 -49.05 -42.05 37.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 94' ' ' THR . 1.1 mp -39.97 -60.15 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.18 -36.56 63.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 97' ' ' GLN . 2.0 m-20 -68.58 -33.6 74.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.55 ' CB ' ' CD2' ' A' ' 30' ' ' PHE . 1.1 m -71.62 -53.05 14.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -20.22 6.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -2.68 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.473 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.4 t-160 -135.72 -74.98 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.532 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 4.1 p -37.95 -52.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.608 ' C ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -69.36 -44.33 71.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -51.17 -22.05 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.5 mt -90.91 -44.51 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -52.07 -41.23 62.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 29.7 tttt 81.07 32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.7 m -90.34 20.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CD1' ' CD1' ' A' ' 106' ' ' LEU . 2.8 p90 -137.83 125.23 21.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 76' ' ' HIS . 13.4 p30 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.548 ' CB ' ' CE2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.525 0.202 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.19 86.28 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.5 mt -70.06 105.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -103.77 5.04 35.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -168.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' PHE . 33.5 m-20 -111.47 -44.02 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.07 -42.99 30.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -57.64 -30.7 65.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -86.55 -41.14 14.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.69 -39.47 94.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -26.21 64.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 110.234 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.98 -59.25 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -59.87 -14.28 14.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.02 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -123.36 3.86 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.14 164.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' THR . 2.5 t-160 -117.27 99.55 7.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 0.763 . . . . 0.0 109.598 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.7 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 92.5 p -88.67 154.82 20.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.611 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 17.9 m -131.73 -155.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 25' ' ' VAL . . . 167.81 131.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.734 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 0.9 OUTLIER -100.05 -59.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.077 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.734 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 32.9 mtm-85 -130.03 -74.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.473 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 3.4 pm0 -122.38 -4.52 8.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.476 ' O ' ' CG2' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -105.18 134.62 47.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -125.6 117.85 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.611 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 19.0 m -99.24 119.08 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.743 ' CD1' ' CD1' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -95.87 117.69 31.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' HIS . 33.9 p -123.12 167.7 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 108.28 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CE2' ' CB ' ' A' ' 7' ' ' TYR . 37.0 p90 -109.17 -175.06 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' ' 82' ' ' ILE . 2.0 mtt-85 -135.09 104.36 5.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.706 ' CD2' ' CE1' ' A' ' 70' ' ' PHE . 12.0 mt -91.31 101.29 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.38 148.04 16.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.84 136.09 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -135.79 147.39 48.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 50' ' ' SER . 87.6 t -134.91 167.89 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.425 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 29.3 t -95.72 163.13 13.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.939 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -101.19 1.27 38.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -104.53 -19.62 13.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -37.57 -66.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.15 -109.32 0.37 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.496 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 9.0 t30 -88.03 -158.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.72 -21.67 14.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.36 -36.38 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -76.71 -21.51 55.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.509 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 31.2 ttt180 -90.6 -8.98 48.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.265 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -92.23 -30.73 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -76.21 -35.96 58.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 13.8 mt -68.48 -34.63 66.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -87.99 -43.06 12.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 6.3 ttt85 -46.84 -61.85 1.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' ASN . . . -51.18 -50.29 59.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.557 ' CG2' ' CE2' ' A' ' 70' ' ' PHE . 95.2 mt -51.55 -52.68 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -8.24 31.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 15.4 tt0 -109.8 -3.68 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.662 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 1.1 t30 -118.43 -9.48 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.706 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -97.52 -10.72 24.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.74 2.73 30.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 73' ' ' HIS . 8.5 m -97.08 -55.49 6.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.662 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -101.49 18.38 20.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.582 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -49.92 -22.36 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.6 m -89.12 -28.4 20.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.652 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.1 OUTLIER -77.23 -19.52 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.413 ' CD1' ' N ' ' A' ' 77' ' ' ILE . 1.2 mp -81.07 133.59 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -104.2 -179.44 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -52.13 -176.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 6.4 mttm 91.64 119.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.71 154.84 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.526 ' O ' ' CG1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -159.06 143.2 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.526 ' CG1' ' O ' ' A' ' 82' ' ' ILE . 20.7 mt -157.38 104.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.555 ' CG1' ' CG1' ' A' ' 32' ' ' VAL . 27.6 m -85.43 89.5 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.743 ' CD1' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -82.66 158.35 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -96.05 104.34 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.519 ' C ' ' CG ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -35.16 -84.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.519 ' CG ' ' C ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -164.41 -56.77 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.0 9.52 2.0 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.5 12.73 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -84.42 -37.94 20.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.07 -2.33 30.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.473 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.39 -170.04 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.427 ' C ' ' N ' ' A' ' 96' ' ' LEU . 6.7 p -154.84 156.69 36.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -47.71 -20.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.6 tm? -78.95 -48.89 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' ASN . 39.0 mt-30 -64.73 -50.43 66.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 10.6 mt -43.77 -28.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 97' ' ' GLN . 70.6 mt-30 -86.73 -40.36 15.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLN . 29.9 m-20 -68.86 -19.13 64.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' HIS . 55.2 m -71.46 -56.33 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.8 -22.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -5.37 24.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.514 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.0 OUTLIER -140.04 -71.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.672 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 9.9 p -36.15 -52.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.661 ' C ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -65.39 -43.87 89.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 104' ' ' HIS . 24.4 mttt -49.27 -21.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.431 ' N ' ' C ' ' A' ' 106' ' ' LEU . 6.7 mt -90.46 -38.81 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.446 ' C ' ' CG ' ' A' ' 110' ' ' LYS . . . -58.98 -40.63 85.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.446 ' CG ' ' C ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 81.2 38.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 m -104.39 23.5 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.491 ' CG ' ' O ' ' A' ' 112' ' ' PHE . 0.5 OUTLIER -145.31 121.15 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.511 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 73.2 m-80 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.594 1.184 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.841 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 41.0 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.525 0.203 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -78.5 111.74 14.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.6 mt -89.46 101.81 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.6 4.57 35.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -113.96 156.54 23.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' PHE . 1.8 t-20 -83.58 -47.47 11.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -47.51 -45.41 26.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -54.49 -32.47 57.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -87.06 -39.32 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -39.1 81.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -55.0 -26.46 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.249 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 18' ' ' ILE . 1.3 mm -79.58 -58.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.733 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 5.7 m-85 -58.4 -14.82 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.38 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 14.71 5.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.31 176.01 5.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' THR . 2.2 t-160 -129.79 103.73 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.489 0.758 . . . . 0.0 109.648 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 p -95.13 137.49 34.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.81 128.7 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.19 138.7 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.495 ' OD1' ' CE1' ' A' ' 104' ' ' HIS . 41.2 t30 -119.15 -142.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 27' ' ' ASN . 40.2 mmt180 -33.54 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 29' ' ' GLN . 0.3 OUTLIER -139.55 30.09 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -127.42 147.94 50.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.99 109.24 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 105' ' ' VAL . 26.9 m -106.54 126.7 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.733 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 3.8 m-85 -93.57 134.5 35.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 33' ' ' TYR . 29.9 p -157.0 147.4 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 1.9 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 108.296 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.841 ' CZ ' ' CZ ' ' A' ' 7' ' ' TYR . 39.7 p90 -64.08 96.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -71.37 128.21 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' A' ' 82' ' ' ILE . 13.9 mt -102.08 128.82 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.41 -54.47 0.48 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.1 mt 66.78 129.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 0.787 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.57 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 2.6 m -148.74 160.89 42.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' A' ' 48' ' ' SER . 3.0 t -167.08 165.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.521 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -92.19 166.35 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -92.76 -13.36 29.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.92 -14.47 14.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.674 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -114.49 -12.44 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 59' ' ' ARG . . . -109.56 36.46 4.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.045 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.659 ' O ' ' N ' ' A' ' 59' ' ' ARG . 41.0 t30 -41.86 167.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.99 -32.65 54.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -33.3 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.5 mt -75.39 -45.34 39.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.659 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -67.44 -3.1 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -103.67 -17.82 14.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -106.63 -18.87 13.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 30.3 mt -94.12 -37.34 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -76.2 -41.78 48.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.524 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 9.1 ptm180 -64.05 -44.36 92.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.524 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -68.85 -9.52 51.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.0 mt -99.95 -29.85 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.209 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.3 -0.97 56.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.437 ' OE2' ' NE2' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -117.81 -0.85 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.616 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 2.2 t-20 -116.47 1.58 12.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.07 -39.49 5.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -74.14 -4.73 37.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 m -113.23 -43.66 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 43.5 m-70 -71.32 -17.56 62.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -58.87 -20.15 48.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.43 33.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.023 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.616 ' NE2' ' CE1' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -178.88 -28.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.621 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.499 ' N ' ' CD2' ' A' ' 76' ' ' HIS . 0.3 OUTLIER -60.18 137.89 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.34 174.49 5.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.614 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -53.14 -167.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.614 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 37.3 mttt 96.28 118.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 1.4 p30 -39.66 126.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.546 ' CD1' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -137.71 139.04 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.483 ' CG1' ' C ' ' A' ' 82' ' ' ILE . 1.1 mt -153.53 119.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.34 115.07 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.497 ' CG2' ' CB ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -120.31 150.85 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.494 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -82.07 109.2 16.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.2 tpt85 -31.81 -70.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.567 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 164.31 -47.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.02 7.26 2.95 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.532 ' C ' ' CD2' ' A' ' 53' ' ' LEU . . . -87.42 19.8 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' N ' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -88.34 3.85 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -147.78 46.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -127.37 -172.62 2.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' GLN . 8.6 p -134.07 150.51 51.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -43.74 -24.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.8 tm? -65.9 -43.22 88.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.217 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' THR . 34.2 mt-30 -69.84 -24.75 63.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.9 mt -72.65 -53.83 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.437 ' NE2' ' OE2' ' A' ' 68' ' ' GLU . 1.7 mm-40 -58.87 -35.28 72.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -68.51 -22.77 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 104' ' ' HIS . 21.6 p -90.72 -55.64 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.526 ' O ' ' CD2' ' A' ' 106' ' ' LEU . 2.0 mt -48.58 -34.32 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -6.6 22.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.35 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' HIS . . . . . 0.685 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -134.7 -68.7 0.53 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 101' ' ' SER . 0.8 OUTLIER -42.07 -39.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.737 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -81.54 -37.44 27.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' HIS . 6.3 tmtt? -55.32 -34.99 64.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.608 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 37.4 mt -79.91 -34.18 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -39.8 -29.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 4.1 tptt 90.37 11.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.737 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 15.1 m -91.19 30.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.595 1.184 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.616 ' CE1' ' NE2' ' A' ' 76' ' ' HIS . 1.8 m-85 -130.34 122.87 28.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.557 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 4.1 p30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.229 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 tpp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.559 0.219 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.527 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -129.85 -174.72 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.608 ' CD2' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -104.28 170.44 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.55 ' O ' ' CE1' ' A' ' 7' ' ' TYR . 6.9 tt0 -120.01 -146.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.6 OUTLIER -70.39 -2.82 14.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.446 ' CB ' ' CG ' ' A' ' 42' ' ' HIS . . . -44.89 -37.6 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.608 ' CE2' ' CD2' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -90.46 25.74 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -129.24 170.44 13.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.4 mt -135.62 114.08 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -131.13 6.3 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -174.83 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.475 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.3 p30 -95.95 -48.18 5.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.13 -38.51 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.54 -25.41 64.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.41 -28.14 17.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -80.34 -33.78 37.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.25 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -42.55 -73.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -47.24 -55.24 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 3.2 m-85 -57.53 -13.53 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.19 -79.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 -3.38 10.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -48.73 158.39 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' THR . 14.1 t60 -104.55 100.93 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.55 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.456 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 35.1 p -93.15 154.1 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.538 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 13.3 m -128.89 -142.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 25' ' ' VAL . . . 160.38 128.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 9.6 p30 -87.78 -87.87 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 10.5 ptp180 -122.65 -46.11 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.39 13.15 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.508 ' O ' ' CG2' ' A' ' 105' ' ' VAL . 0.2 OUTLIER -135.61 137.39 41.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.8 OUTLIER -126.75 146.17 33.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.3 m -127.77 128.19 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.456 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 6.3 m-85 -106.89 130.12 54.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' HIS . 29.7 p -140.84 165.2 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.406 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 12.9 t -146.4 155.17 42.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.444 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 14.8 m-20 48.75 95.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ASN . 6.8 m120 -38.76 -37.86 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -169.81 73.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -133.64 27.77 3.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.361 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.96 -161.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -146.85 13.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' CG ' ' CB ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -166.9 121.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' CB ' ' CG2' ' A' ' 77' ' ' ILE . 4.4 p90 -67.54 88.82 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' A' ' 82' ' ' ILE . 2.6 mtm180 -51.7 93.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER -77.4 137.06 38.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.85 161.61 27.79 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.3 mt -136.6 127.57 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.517 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 9.3 m -143.16 148.02 35.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -137.22 179.15 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 t -100.26 170.53 8.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -104.05 1.97 31.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 53' ' ' LEU . 13.5 mttt -110.57 -15.21 13.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.528 ' CD2' ' CD1' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -35.95 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.86 -110.93 0.36 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -100.89 179.16 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.53 -24.31 65.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.71 -26.29 30.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 97.8 mt -81.94 -44.27 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -71.98 -5.03 32.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.523 ' O ' ' N ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -95.25 -56.67 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.71 -46.16 29.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.528 ' CD1' ' CD2' ' A' ' 53' ' ' LEU . 4.9 mt -62.01 -24.27 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' ASN . 64.1 mttt -89.76 -58.04 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 67' ' ' ARG . 2.5 mtp180 -49.71 -67.87 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -42.95 -28.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.411 ' N ' ' C ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -83.45 -41.09 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -70.42 -9.8 57.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.66 -26.95 14.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.7 t-20 -82.61 -68.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.516 ' CZ ' ' CD1' ' A' ' 82' ' ' ILE . 1.0 OUTLIER -40.53 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -60.77 -47.9 84.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.596 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 3.1 m -77.75 -41.99 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.43 ' CD2' ' CG2' ' A' ' 72' ' ' VAL . 59.2 m-70 -76.94 2.02 15.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -53.87 -41.08 67.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.386 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.18 12.23 27.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 72' ' ' VAL . 1.3 m170 -113.43 -19.01 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.647 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.476 ' CG2' ' CB ' ' A' ' 43' ' ' PHE . 1.7 mp -89.62 142.87 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.636 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -113.47 161.39 17.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.558 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -60.98 129.65 42.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.778 ' O ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER 159.64 49.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.263 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.778 ' O ' ' O ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER 34.8 111.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.516 ' CD1' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -131.47 131.5 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.6 mt -150.3 158.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 109.26 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.449 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 14.9 m -136.52 115.03 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.705 ' CD1' ' N ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -107.62 146.53 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.6 117.42 29.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 -49.58 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.4 OUTLIER 171.47 -52.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.6 Cg_endo -74.93 2.39 6.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.69 -2.07 27.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.56 -36.65 83.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.94 -23.71 66.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.6 mtm -66.64 166.99 11.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.505 ' C ' ' CD1' ' A' ' 98' ' ' ILE . 18.1 p -133.99 -178.58 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -8.25 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.34 -43.38 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 100' ' ' ASN . 30.9 mt-30 -79.58 -48.21 14.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.505 ' CD1' ' C ' ' A' ' 94' ' ' THR . 9.7 mt -45.12 -40.19 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -72.29 -35.74 68.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' GLN . 8.1 m-20 -72.39 -6.12 41.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.7 m -78.08 -47.88 17.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.41 -17.1 58.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -2.55 14.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.2 t-160 -134.99 -77.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.697 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 4.2 p -39.96 -53.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.621 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -64.07 -43.07 96.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.1 OUTLIER -58.86 -16.7 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.0 mt -96.31 -33.29 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -51.5 -36.92 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 87.8 23.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.621 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 21.9 m -90.3 23.18 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.424 ' CE2' ' CD1' ' A' ' 106' ' ' LEU . 1.4 m-85 -126.72 124.41 39.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -52.41 -31.46 34.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.592 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 1.2 mmtt -157.88 -43.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.592 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 2.9 ttpt 95.34 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.6 157.78 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.46 0.171 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.8 -58.76 7.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.52 ' CD1' ' CE1' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -134.83 134.29 40.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.662 ' O ' ' CD2' ' A' ' 7' ' ' TYR . 3.0 tt0 -115.46 -156.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 7' ' ' TYR . 3.2 pttt -55.44 -13.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.378 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.607 ' CB ' ' CG ' ' A' ' 42' ' ' HIS . . . -45.56 -27.9 0.84 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.662 ' CD2' ' O ' ' A' ' 4' ' ' GLU . 46.7 m-85 -36.45 -33.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -112.35 -169.01 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.233 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.503 ' CG2' ' OD2' ' A' ' 14' ' ' ASP . 1.3 mm -100.25 127.06 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.54 6.34 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 6.1 mttm -148.89 116.64 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' PHE . 8.8 p30 -50.92 -45.55 60.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.36 -56.12 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 15' ' ' PHE . 0.4 OUTLIER -49.77 -37.19 28.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.684 ' CE1' ' CD1' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -75.23 -42.94 54.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.92 -40.17 96.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -50.3 -42.93 53.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.7 mt -60.11 -65.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -53.69 -16.43 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -73.74 -87.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -98.86 -20.75 16.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -36.54 157.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.548 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 1.3 p-80 -121.24 118.51 29.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.549 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.628 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 62.2 p -97.8 155.92 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 16.7 m -123.41 -144.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 25' ' ' VAL . . . 160.81 131.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 30' ' ' PHE . 3.8 p30 -89.06 -95.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.38 -40.39 2.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.488 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.77 23.99 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 2.5 t80 -147.41 156.97 43.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -146.7 133.83 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.6 m -120.73 125.06 73.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.628 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 3.3 m-85 -95.35 122.34 37.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' HIS . 43.0 p -140.05 154.94 47.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 8.3 t -116.18 -41.72 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 0.9 OUTLIER 42.04 80.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -112.55 158.35 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.32 60.27 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 179.42 39.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -96.9 154.64 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.76 6.39 4.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.607 ' CG ' ' CB ' ' A' ' 6' ' ' ALA . 7.4 p80 177.84 176.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.675 ' CG ' ' CG2' ' A' ' 77' ' ' ILE . 1.6 p90 -112.62 84.81 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' ' 82' ' ' ILE . 0.1 OUTLIER -34.85 125.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.1 mt -123.27 89.24 3.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -109.77 169.55 13.75 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.499 1.124 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -119.23 119.85 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 109.212 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.479 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 59.7 m -122.79 129.71 52.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 87.7 t -132.03 158.1 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.3 t -94.32 165.35 12.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -100.78 1.6 40.41 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.09 -15.3 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.25 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 172.05 -109.95 0.33 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -101.99 -179.36 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 109.247 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.66 -23.46 60.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -65.99 -21.98 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 44.7 mt -84.45 -39.7 18.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.23 -8.98 58.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.1 m-20 -92.66 -41.51 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.13 -32.8 67.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -74.12 -41.39 51.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -16.12 45.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 11.3 ttt180 -68.68 -48.33 64.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.62 -9.74 59.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.478 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 1.0 OUTLIER -93.7 -26.1 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -9.81 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -109.1 -9.76 15.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.75 -36.46 15.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 74' ' ' LYS . 10.5 m-85 -66.8 -46.74 74.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -62.71 -52.6 62.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 73' ' ' HIS . 8.6 p -60.22 -52.32 62.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.408 1.067 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.464 ' N ' ' CG1' ' A' ' 72' ' ' VAL . 94.0 m-70 -84.44 17.22 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.581 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' PHE . 5.2 ttpt -60.31 -47.23 86.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.4 m -83.09 -9.82 59.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.423 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 2.3 m-70 -90.72 -26.82 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.585 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.675 ' CG2' ' CG ' ' A' ' 43' ' ' PHE . 1.6 mp -83.07 145.56 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -120.82 154.44 35.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -39.16 126.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.519 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 2.0 mttp 162.26 110.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -45.84 124.44 5.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.567 ' CD1' ' C ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -141.51 159.41 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.684 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 18.6 mt -157.0 115.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 6.3 m -90.38 114.34 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.605 1.191 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.598 ' CD1' ' CD1' ' A' ' 33' ' ' TYR . 0.5 OUTLIER -114.59 143.51 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.46 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -94.98 119.66 33.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -52.87 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.355 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -85.27 -58.2 0.35 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 7.78 2.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 29' ' ' GLN . . . -82.99 7.71 14.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.57 -13.47 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -90.82 -6.01 54.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.411 ' SD ' ' CD ' ' A' ' 29' ' ' GLN . 6.8 mtm -72.09 -176.2 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 98' ' ' ILE . 14.4 p -154.38 160.05 41.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -44.63 -22.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.4 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.451 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.1 tm? -76.87 -45.42 28.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 94' ' ' THR . 26.1 mt-30 -82.27 -43.35 17.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 94' ' ' THR . 10.1 mt -49.04 -37.16 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -74.89 -38.63 61.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.597 1.186 . . . . 0.0 110.328 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -75.61 -13.84 60.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' GLN . 30.7 m -73.17 -49.48 27.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.81 -16.35 57.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.04 -3.14 21.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.514 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.9 OUTLIER -133.9 -75.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.575 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 4.2 p -41.13 -51.04 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.732 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -68.18 -40.72 82.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -58.42 -21.34 50.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.9 mt -90.8 -38.51 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -42.18 -33.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 7.8 tptm 88.56 17.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.732 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 31.1 m -92.4 27.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.3 OUTLIER -133.91 122.88 23.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 112' ' ' PHE . 17.2 m-80 -37.4 -39.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.82 -86.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 pttt 179.5 88.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -53.59 159.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.481 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.532 0.206 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 1' ' ' MET . 1.0 OUTLIER 86.4 -45.92 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.64 ' CD1' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -69.09 177.4 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' N ' ' CG ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -78.17 -160.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 1.6 ptpp? -104.12 -5.42 22.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.367 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.16 -18.81 60.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.64 ' CD1' ' CD1' ' A' ' 3' ' ' LEU . 2.1 m-85 -123.7 26.98 7.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.53 168.68 19.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 mm -99.73 -167.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.52 -34.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.51 166.93 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.385 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 16' ' ' GLN . 5.2 m-80 -78.89 -50.1 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -41.62 -58.54 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -45.88 -39.92 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.615 1.197 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.2 m-85 -77.28 -40.96 42.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 20' ' ' LYS . 1.1 mt-30 -65.6 -35.53 81.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 20' ' ' LYS . 10.9 tpp180 -41.68 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -46.14 -56.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 5.0 m-85 -55.37 -15.86 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.58 1.175 . . . . 0.0 111.009 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -72.96 -80.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 2.56 10.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -51.61 170.62 0.36 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.143 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.533 ' NE2' ' CG1' ' A' ' 25' ' ' VAL . 10.9 t60 -108.49 100.8 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 109.554 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.1 p -89.61 144.47 25.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.533 ' CG1' ' NE2' ' A' ' 23' ' ' HIS . 30.8 m -138.18 139.26 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.48 123.54 28.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.596 ' N ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -74.2 -96.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.53 ' N ' ' ND2' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -123.25 -37.31 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' NE2' ' CG ' ' A' ' 93' ' ' MET . 2.9 mt-30 -144.11 50.13 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 1.4 t80 177.89 143.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -133.85 130.87 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.424 1.077 . . . . 0.0 109.339 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.0 m -120.26 138.41 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CD2' ' CD1' ' A' ' 19' ' ' TYR . 5.8 m-85 -109.28 133.13 53.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.5 p -144.86 156.77 44.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.5 t -161.51 154.21 20.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 108.363 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.404 ' CG ' ' CG ' ' A' ' 80' ' ' LYS . 21.6 t30 -150.33 137.1 19.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 6.8 t30 175.91 65.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' ASN . 1.5 mptp? 40.09 79.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.618 1.199 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.21 -51.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.2 tp -110.47 168.89 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.379 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.454 ' C ' ' CB ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -135.99 10.41 3.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.241 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -151.33 162.04 41.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.624 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.728 ' CD2' ' CG2' ' A' ' 77' ' ' ILE . 45.8 p90 -78.32 108.7 11.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' O ' ' O ' ' A' ' 82' ' ' ILE . 4.4 mtm180 -79.8 114.18 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.687 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -89.17 121.47 31.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -129.67 132.84 7.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.598 ' CD1' ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -104.76 134.02 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.47 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 66.1 m -144.37 134.72 24.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 50' ' ' SER . 42.3 t -139.95 161.9 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.432 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 26.9 t -94.07 163.33 13.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.79 0.83 33.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.597 1.186 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -103.88 -17.68 14.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CD2' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.36 -68.74 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.16 -113.92 0.55 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.552 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -95.27 -158.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.95 -19.68 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 p -63.81 -37.19 79.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.552 ' CD1' ' O ' ' A' ' 55' ' ' ASN . 0.8 OUTLIER -82.7 -22.28 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -88.8 -12.63 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.445 ' O ' ' N ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -87.9 -38.62 15.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -37.74 71.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.479 ' CD1' ' CD2' ' A' ' 53' ' ' LEU . 71.7 mt -69.61 -26.6 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' ILE . 0.3 OUTLIER -90.21 -63.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.535 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 6.4 ptm180 -38.26 -44.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -63.45 -47.76 80.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.482 ' N ' ' O ' ' A' ' 63' ' ' LYS . 47.2 mt -50.07 -47.19 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -85.55 13.0 7.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 65' ' ' ALA . 0.7 OUTLIER -104.1 -28.64 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.475 ' O ' ' C ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -99.44 -55.15 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.687 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -31.27 -39.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ASN . 4.8 tptt -57.52 -66.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.2 m -54.92 -37.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.474 ' CE1' ' CD2' ' A' ' 106' ' ' LEU . 46.9 m-70 -71.05 -19.89 62.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 109.54 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -66.33 -18.05 65.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.4 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.31 36.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 77' ' ' ILE . 0.6 OUTLIER -175.35 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.728 ' CG2' ' CD2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -44.9 141.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.59 ' CD1' ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.19 178.4 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.547 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -66.92 130.35 42.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 159.76 112.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -47.78 121.07 3.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.486 ' O ' ' CG1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -127.9 156.35 39.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.486 ' CG1' ' O ' ' A' ' 82' ' ' ILE . 30.7 mt -155.47 126.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.6 m -106.99 125.13 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.47 ' CG2' ' CB ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -123.0 146.59 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -81.74 113.11 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.459 ' C ' ' O ' ' A' ' 86' ' ' ALA . 6.5 mmt180 -34.61 -91.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.78 -57.7 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.369 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 4.68 4.51 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.49 21.34 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -18.71 56.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.79 23.24 14.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.48 ' CG ' ' NE2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -81.36 -165.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 97' ' ' GLN . 1.6 p -154.88 145.31 22.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.473 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 1.3 m -43.63 -24.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.401 ' N ' ' C ' ' A' ' 94' ' ' THR . 0.9 OUTLIER -73.72 -49.17 26.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 94' ' ' THR . 2.7 mm-40 -66.35 -37.94 86.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 12.7 mt -55.88 -42.26 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 95' ' ' THR . 2.4 mm-40 -65.76 -31.87 73.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.43 -34.14 60.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.52 ' CB ' ' OD1' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -75.18 -51.71 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.501 ' O ' ' CD2' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -54.0 -34.16 59.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.81 -1.48 9.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -122.95 -73.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 2.7 p -46.92 -52.02 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.579 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -68.9 -40.93 78.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -54.81 -43.59 73.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 104' ' ' HIS . 16.1 mt -68.67 -36.34 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -41.81 -37.29 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 84.11 30.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.579 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 4.6 m -84.26 6.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.57 ' CE2' ' CE1' ' A' ' 76' ' ' HIS . 15.2 m-85 -106.51 124.87 50.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.59 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 19.4 m-80 -35.95 -36.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -138.92 -82.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -177.32 89.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.189 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -41.39 160.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 6.7 tttt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 mtt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.511 0.196 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.7 mt -146.13 -103.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 4' ' ' GLU . 1.4 tm? -175.2 143.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.557 ' N ' ' CD1' ' A' ' 3' ' ' LEU . 1.8 tt0 -153.05 -159.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.26 -4.56 10.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.07 -17.18 61.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -133.2 24.51 4.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.94 121.48 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.4 mm -70.98 76.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 -28.94 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.12 153.77 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.483 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.1 t-20 -75.67 -28.09 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.371 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.67 -41.94 67.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.84 -26.0 67.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 13.2 m-85 -88.77 -33.17 17.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' ASN . 2.3 tt0 -76.78 -48.05 19.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -38.98 -46.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' GLY . 1.1 mt -69.95 -56.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 15' ' ' PHE . 10.1 m-85 -48.78 -22.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.65 13.97 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -59.03 176.83 2.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.548 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 7.3 p-80 -122.44 111.26 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.618 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.9 p -95.98 158.31 15.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' VAL . 13.9 m -143.0 125.07 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.81 104.62 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.359 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' A' ' 30' ' ' PHE . 8.6 p30 -54.13 -88.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.243 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.457 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 18.5 mmt85 -124.32 -43.12 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.43 ' OE1' ' CB ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -140.71 9.98 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.524 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -133.31 138.11 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -112.43 134.51 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.511 ' CG1' ' O ' ' A' ' 32' ' ' VAL . 0.9 OUTLIER -115.99 99.56 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' A' ' 83' ' ' ILE . 6.0 m-85 -80.8 93.02 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.55 159.01 20.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 36' ' ' ASN . 16.3 p -129.71 122.64 29.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.237 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 38' ' ' LYS . 3.5 p-10 -48.66 178.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -47.85 91.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -108.89 61.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 59.85 19.07 7.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.81 159.71 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' C ' ' CG ' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -148.0 15.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.42 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.432 ' CG ' ' C ' ' A' ' 41' ' ' ASP . 4.3 m-70 -153.3 168.17 26.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.558 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' PHE . 1.8 p90 -116.93 128.62 55.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.428 ' CD ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -126.33 102.76 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.651 ' CD1' ' CD2' ' A' ' 70' ' ' PHE . 52.4 mt -80.59 138.2 36.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.24 167.8 18.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.4 mp -137.52 110.51 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 0.823 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.22 142.11 51.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 0.0 110.092 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' A' ' 50' ' ' SER . 83.1 t -122.23 168.67 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.432 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -94.08 171.28 8.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -108.63 -0.21 20.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -106.09 -19.92 13.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.453 ' CD2' ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -38.99 -71.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.38 -114.1 0.58 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -97.33 177.2 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.82 -24.68 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.72 -39.25 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.19 -43.67 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' CG ' ' CG2' ' A' ' 49' ' ' VAL . 2.1 tmt_? -67.07 -12.95 61.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -87.05 -36.72 18.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.355 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -37.19 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.453 ' CD1' ' CD2' ' A' ' 53' ' ' LEU . 12.8 mt -76.14 -26.65 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' ILE . 81.6 tttt -87.85 -59.48 2.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -49.12 -30.8 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.32 -26.51 38.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -79.96 -18.97 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -8.61 20.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -106.79 1.88 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.49 ' ND2' ' NE2' ' A' ' 73' ' ' HIS . 8.5 t-20 -117.94 -69.13 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.405 1.066 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.651 ' CD2' ' CD1' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -38.79 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASN . 13.3 mmmt -51.14 -21.82 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 69' ' ' ASN . 2.6 m -98.01 -42.24 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.257 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.49 ' NE2' ' ND2' ' A' ' 69' ' ' ASN . 10.6 m-70 -68.17 -17.19 64.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.198 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' PHE . 6.4 tttp -70.78 -15.35 62.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.222 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 t -100.98 38.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.871 ' CE1' ' CE1' ' A' ' 112' ' ' PHE . 0.3 OUTLIER -169.4 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.619 ' N ' ' CD2' ' A' ' 76' ' ' HIS . 0.6 OUTLIER -45.71 138.85 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.58 ' CD1' ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -113.94 179.53 3.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.559 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -52.84 130.54 33.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.232 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.559 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 159.34 112.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -67.97 93.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.479 ' O ' ' CG1' ' A' ' 83' ' ' ILE . 1.1 pp -105.2 172.59 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.584 ' CG2' ' CD1' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -171.38 114.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.53 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 1.4 m -91.99 134.64 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.584 ' CD1' ' CG2' ' A' ' 83' ' ' ILE . 0.7 OUTLIER -119.31 149.7 21.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -90.59 103.64 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -46.78 175.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 110.238 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.5 OUTLIER -74.0 -48.87 6.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.4 Cg_endo -74.98 5.8 3.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.32 -1.49 26.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -15.65 57.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.32 13.36 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.5 ttp -101.99 146.85 27.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 p -104.77 148.31 26.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.377 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -49.47 -22.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.86 -40.56 91.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.59 -22.77 46.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' A' ' 101' ' ' SER . 19.1 mt -60.11 -57.96 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -55.05 -33.5 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -83.06 -8.04 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.214 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.466 ' CB ' ' ND2' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -96.62 -51.18 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.977 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.503 ' O ' ' CD2' ' A' ' 106' ' ' LEU . 0.9 OUTLIER -53.27 -30.77 40.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.88 1.96 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.591 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.8 OUTLIER -123.29 -70.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 11.9 p -43.95 -57.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.687 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -65.86 -41.45 91.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.223 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.3 -42.13 60.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.17 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.9 mt -71.42 -37.94 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.229 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.569 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -42.58 -40.9 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 29.1 tttm 93.53 22.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.687 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 12.3 m -88.12 26.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.871 ' CE1' ' CE1' ' A' ' 76' ' ' HIS . 9.9 m-85 -114.6 122.06 45.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.58 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 13.7 m-20 -40.68 -39.31 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.1 -79.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.15 58.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.1 mt -40.87 156.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.529 0.204 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -51.11 10.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.49 149.74 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 109.277 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -114.38 -133.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -6.72 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 73.08 21.18 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.518 ' CB ' ' O ' ' A' ' 43' ' ' PHE . 6.8 m-85 64.84 23.26 12.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 10' ' ' LYS . 6.3 mtm-85 -72.68 117.53 14.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 mm -43.05 95.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ARG . 4.4 mtpt -105.85 4.08 29.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 141.26 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 15' ' ' PHE . 1.2 m120 -60.93 -59.85 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -44.99 -54.93 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -45.91 -33.66 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -84.38 -42.97 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -64.62 -29.86 70.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -60.09 -40.02 88.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.4 mm -64.03 -67.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -44.55 -25.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -72.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -46.02 2.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.78 108.74 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.607 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 6.8 t-160 179.8 58.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 109.596 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 79.3 p -109.21 161.73 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.573 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 22.3 m -137.88 125.48 29.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.85 132.35 53.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.524 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 11.8 p-10 -107.74 -145.23 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.524 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -35.52 -70.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.454 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 0.0 OUTLIER -143.89 27.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.438 ' O ' ' N ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -132.69 151.62 51.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 85' ' ' ILE . 1.2 m -135.53 142.89 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.573 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 12.1 m -127.26 133.27 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.493 ' N ' ' O ' ' A' ' 83' ' ' ILE . 18.0 m-85 -111.33 133.03 53.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 34.2 p -137.19 176.66 8.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 110.461 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.46 108.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.301 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 13.8 p-10 -109.44 -47.99 3.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.371 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 4.7 t30 162.97 -86.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 37' ' ' ASN . 4.6 tttt -156.2 73.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -178.38 111.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.567 ' CD1' ' CD ' ' A' ' 44' ' ' ARG . 7.8 tp -142.34 159.02 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.614 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 1.4 p30 -132.78 42.84 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.614 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 2.9 m170 95.04 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' O ' ' CB ' ' A' ' 7' ' ' TYR . 3.1 p90 175.1 165.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 111.046 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.567 ' CD ' ' CD1' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -135.0 -174.7 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.652 ' CD1' ' CD1' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -168.15 105.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.14 -69.99 1.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 mt 75.33 111.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.533 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -134.83 168.49 18.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 48' ' ' SER . 3.1 t -159.81 148.21 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.3 t -93.82 159.43 15.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -94.3 -2.51 52.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -17.59 35.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.463 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 2.3 mt -48.83 -66.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 173.13 -99.68 0.14 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.442 1.089 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.98 -167.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.749 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.58 -22.27 18.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.14 -23.31 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 1.7 pp -86.03 -36.92 19.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.551 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.41 -7.48 53.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.232 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -91.95 -28.58 17.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -33.08 19.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.428 ' O ' ' CG1' ' A' ' 66' ' ' ILE . 37.2 mt -68.94 -36.38 73.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' CD ' ' C ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -85.12 -40.26 16.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 11.1 ttt180 -56.31 -63.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.43 -31.65 62.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' A' ' 62' ' ' ILE . 1.7 mt -57.28 -41.8 78.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -93.96 9.34 37.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -99.27 -17.15 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -115.74 -5.14 12.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.652 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -99.34 -31.58 11.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -9.46 41.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.92 -49.79 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.372 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 76' ' ' HIS . 79.1 m-70 -79.33 -0.58 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.686 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.414 ' N ' ' O ' ' A' ' 70' ' ' PHE . 1.5 ttpt -42.74 -37.78 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.51 -26.96 21.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 73' ' ' HIS . 17.3 m-70 -67.05 -44.51 80.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.516 ' CD1' ' N ' ' A' ' 77' ' ' ILE . 0.8 OUTLIER -56.78 155.68 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.85 170.91 8.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' O ' ' NZ ' ' A' ' 80' ' ' LYS . . . -62.07 105.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER 177.65 103.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.6 t70 -33.53 123.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.494 ' O ' ' CG1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -128.55 143.33 41.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.494 ' CG1' ' O ' ' A' ' 82' ' ' ILE . 16.3 mt -156.63 110.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.54 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 6.8 m -97.69 130.65 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.54 ' CD1' ' C ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -120.07 163.88 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -97.49 111.44 23.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.1 mmm180 -33.93 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.578 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 5.1 tp60 166.16 -46.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.03 4.97 4.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.367 1.719 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -90.99 18.48 6.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.378 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.2 -8.74 48.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.64 31.39 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.454 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -88.41 -170.17 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 p -155.89 160.09 39.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 110.362 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -52.76 -17.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.464 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -80.81 -49.45 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -70.3 -33.39 71.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 43.0 mt -58.33 -52.92 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.02 -37.8 86.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.73 -31.47 72.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 104' ' ' HIS . 67.5 m -69.35 -46.64 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -26.84 25.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -2.3 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.51 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.9 OUTLIER -133.97 -75.02 0.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.093 . . . . 0.0 109.578 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.539 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 5.2 p -36.64 -56.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.654 ' C ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -70.32 -39.31 74.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -53.25 -21.06 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.364 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.419 ' CG2' ' CG1' ' A' ' 25' ' ' VAL . 4.8 mt -91.64 -35.72 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.415 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -58.74 -38.24 77.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.415 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 81.48 27.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.285 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.2 m -91.3 24.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.489 ' CD1' ' N ' ' A' ' 112' ' ' PHE . 2.0 p90 -137.85 116.96 12.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 112' ' ' PHE . 72.9 m-20 -40.05 -46.01 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt 178.37 -89.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.226 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.1 tttt -176.75 87.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.61 144.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.8 tttm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.481 0.182 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -67.4 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.646 ' CD1' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -62.69 -162.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.107 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.546 ' OE1' ' CE1' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -119.75 -134.53 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -59.57 -7.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' C ' ' CG ' ' A' ' 7' ' ' TYR . . . 72.96 20.5 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.812 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER 63.66 21.2 12.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.36 144.38 46.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 10' ' ' LYS . 1.1 mt -134.07 123.15 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 4.5 tttt -37.04 -36.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.551 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 91.4 -13.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' GLN . 56.1 m-20 -113.84 -95.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.54 -41.03 63.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.47 -25.54 68.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.684 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 0.5 OUTLIER -89.62 -38.2 14.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 12' ' ' ASN . 2.3 mt-30 -65.82 -45.03 83.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -21.77 7.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.0 mm -84.67 -59.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.568 ' CD2' ' CE2' ' A' ' 33' ' ' TYR . 21.0 m-85 -61.59 -14.02 26.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -55.01 -79.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -127.42 12.93 7.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.25 -178.73 7.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.446 ' CD2' ' CG1' ' A' ' 25' ' ' VAL . 2.4 t-160 -118.11 109.57 16.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.529 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 49.6 p -93.82 140.78 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.083 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' CG1' ' CD2' ' A' ' 23' ' ' HIS . 34.8 m -132.15 124.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.27 130.6 55.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 19.2 t-20 -85.45 -94.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -111.61 -55.42 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.431 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -132.35 14.12 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.367 1.042 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -123.63 145.12 49.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.13 114.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 27.0 m -113.4 114.35 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.568 ' CE2' ' CD2' ' A' ' 19' ' ' TYR . 5.5 m-85 -93.86 137.0 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.5 p -137.15 162.69 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.6 t -162.54 131.29 4.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.31 86.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -54.55 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.244 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 60.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 51.04 93.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 0.9 OUTLIER -89.45 -135.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.445 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 6.2 m-20 -176.66 -25.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 2.9 m-70 -124.43 135.93 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.812 ' CZ ' ' CE1' ' A' ' 7' ' ' TYR . 29.2 p90 -58.75 174.76 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.517 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -131.88 163.39 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -152.78 98.03 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.83 -57.38 1.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mp 74.35 111.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 109.332 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.574 ' OG ' ' CE2' ' A' ' 15' ' ' PHE . 4.4 m -140.86 173.28 11.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -129.47 -156.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.8 t -101.54 172.08 7.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.58 -3.27 55.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -19.42 12.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' CD2' ' CD2' ' A' ' 58' ' ' LEU . 1.8 mt -79.6 -101.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 42.35 85.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.492 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.9 OUTLIER -156.5 -165.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.57 -20.25 9.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 p -85.54 -32.41 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 55' ' ' ASN . 0.5 OUTLIER -88.16 -43.56 11.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 63' ' ' LYS . 15.6 mtp85 -66.26 -6.6 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.2 m-20 -95.15 -18.6 20.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -115.27 -12.07 11.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.451 ' CG2' ' CB ' ' A' ' 86' ' ' ALA . 51.9 mt -108.25 -31.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 59' ' ' ARG . 1.1 ttpp -97.47 -4.97 37.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 ttt85 -86.89 -50.76 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.87 -16.83 63.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -79.31 -30.33 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 11.13 30.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -115.72 -0.63 12.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -118.71 -61.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.46 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -50.21 -18.28 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -46.14 90.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -81.73 -43.62 19.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.241 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.462 ' O ' ' N ' ' A' ' 76' ' ' HIS . 75.2 m-70 -72.39 -3.99 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.684 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -48.37 -27.04 2.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -102.42 -17.32 15.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 2.1 m170 -83.9 -14.87 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 mp -96.9 146.11 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.559 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.74 173.31 6.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.378 1.049 . . . . 0.0 109.257 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.467 ' O ' ' CD ' ' A' ' 80' ' ' LYS . . . -53.26 122.96 10.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER 171.24 108.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.2 t0 -39.98 105.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.529 ' O ' ' CD1' ' A' ' 83' ' ' ILE . 0.3 OUTLIER -103.98 144.89 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.684 ' CG2' ' CZ ' ' A' ' 15' ' ' PHE . 0.9 OUTLIER -144.67 83.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 16.6 m -73.56 98.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -102.49 159.3 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.511 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -106.94 117.99 35.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.511 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -49.75 -170.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.41 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -82.76 -56.76 0.48 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.41 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.1 Cg_endo -75.07 10.51 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.547 1.814 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' A' ' 29' ' ' GLN . . . -85.55 19.62 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -90.04 -38.22 13.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.08 25.59 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 10.1 ttp -99.84 152.72 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 97' ' ' GLN . 7.9 p -110.9 146.17 37.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -47.05 -22.6 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.38 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 1.8 tm? -65.39 -38.77 91.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.7 mt-30 -78.55 -30.51 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 61' ' ' LYS . 97.2 mt -63.41 -56.89 14.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -56.73 -24.23 48.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 96' ' ' LEU . 50.9 m-20 -90.49 -15.45 30.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -92.84 -47.72 6.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.0 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 106' ' ' LEU . 0.2 OUTLIER -52.7 -33.26 46.86 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -0.91 12.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.607 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -128.02 -72.08 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.628 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.489 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 2.6 p -44.32 -50.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.68 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -70.31 -39.42 74.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -52.79 -40.64 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.564 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 45.3 mt -74.18 -36.85 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.51 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -38.56 -30.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.1 OUTLIER 88.12 14.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.68 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 33.6 m -93.15 29.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.47 ' O ' ' C ' ' A' ' 113' ' ' ASN . 1.2 m-85 -124.7 115.5 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.47 ' C ' ' O ' ' A' ' 112' ' ' PHE . 0.8 OUTLIER -34.88 -63.38 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.84 -70.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt 177.35 74.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -51.68 153.22 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.591 1.182 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.549 0.214 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.09 5.67 25.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.403 1.064 . . . . 0.0 109.222 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.533 ' CD1' ' N ' ' A' ' 4' ' ' GLU . 1.7 tm? -151.76 147.72 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.555 ' O ' ' CD1' ' A' ' 7' ' ' TYR . 1.9 mt-10 -155.32 -162.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 8' ' ' ARG . 63.0 pttt -65.0 -5.76 7.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.31 -43.91 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.65 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -87.22 21.44 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -115.63 123.67 49.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.552 ' O ' ' CB ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -88.83 -157.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.406 1.066 . . . . 0.0 109.238 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.552 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER 160.26 -27.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.367 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.67 153.44 27.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.0 m-20 -79.69 -22.92 42.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.48 -53.02 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.413 ' CB ' ' CG2' ' A' ' 9' ' ' ILE . 6.6 m-20 -63.26 -28.65 70.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.507 ' CE2' ' CG2' ' A' ' 83' ' ' ILE . 1.6 m-85 -84.77 -19.27 32.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -90.9 -46.2 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.58 -30.86 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -82.84 -48.23 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.647 ' CZ ' ' CZ ' ' A' ' 33' ' ' TYR . 5.8 m-85 -67.99 -8.67 39.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -64.47 -83.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.96 13.57 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.31 -157.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -136.93 93.33 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.573 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.8 p -97.54 136.81 37.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.08 . . . . 0.0 110.056 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.488 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 17.7 m -103.97 -175.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -177.51 126.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.459 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 2.5 p30 -83.66 -89.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -122.51 -46.59 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.294 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -138.14 18.72 2.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.531 ' O ' ' CG2' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -137.61 131.56 31.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -130.7 128.59 63.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.488 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 17.5 m -116.21 105.8 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.647 ' CZ ' ' CZ ' ' A' ' 19' ' ' TYR . 7.9 m-85 -78.75 123.02 26.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.9 p -137.84 150.34 47.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.6 t 173.63 95.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.268 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 176.29 128.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.256 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 46.9 m-80 -67.65 -28.08 67.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER 166.51 -110.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 0.4 OUTLIER 70.34 6.13 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.93 -172.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -156.44 15.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -133.09 -101.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.551 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.65 ' CE1' ' CD2' ' A' ' 7' ' ' TYR . 32.9 p90 168.88 110.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 82' ' ' ILE . 40.0 mtt-85 -65.66 84.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.31 98.63 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.59 138.99 15.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.0 mt -120.31 128.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 1.4 m -136.21 167.12 21.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' A' ' 48' ' ' SER . 39.5 t -154.48 173.05 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.412 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 30.1 t -93.02 162.5 14.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.054 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -99.23 1.62 44.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -107.51 -17.35 14.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.455 ' CD2' ' CB ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -39.98 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 174.25 -114.36 0.5 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.586 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 0.3 OUTLIER -92.9 -172.31 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.65 -24.5 27.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.373 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 p -57.66 -40.74 76.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 0.9 OUTLIER -73.95 -28.69 61.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.503 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -77.74 -11.55 59.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.441 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -90.67 -36.38 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' O ' ' OG1' ' A' ' 95' ' ' THR . 2.4 tttp -75.79 -10.34 59.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 90' ' ' ALA . 66.2 mt -98.12 -32.22 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -35.65 15.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -68.46 -33.76 74.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.52 ' CB ' ' OG1' ' A' ' 95' ' ' THR . . . -59.67 -42.34 92.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 21.3 mt -56.32 -45.89 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -2.94 22.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -23.58 14.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.236 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -108.83 -61.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.23 -17.93 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -51.17 63.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.479 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 5.2 m -74.54 -40.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.188 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -77.05 0.54 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -52.92 -45.06 67.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.15 10.58 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.587 1.179 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.529 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.7 OUTLIER -113.24 -30.28 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.626 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -75.99 153.56 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -122.46 174.55 6.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.53 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -59.78 136.45 58.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.53 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 1.3 mtpm? 161.96 127.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -63.61 97.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.442 ' O ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -115.76 152.75 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.507 ' CG2' ' CE2' ' A' ' 15' ' ' PHE . 22.6 mt -152.45 106.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.463 ' CG1' ' CG1' ' A' ' 32' ' ' VAL . 2.0 m -92.16 127.07 44.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.5 mp -115.09 167.97 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.552 ' O ' ' N ' ' A' ' 88' ' ' GLN . . . -90.75 42.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.466 ' C ' ' O ' ' A' ' 86' ' ' ALA . 18.5 tpt180 33.97 -92.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -169.84 -56.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.1 Cg_endo -75.01 6.94 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.545 1.813 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' O ' ' CD1' ' A' ' 62' ' ' ILE . . . -78.02 42.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' CB ' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -120.41 -0.2 10.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -122.9 12.28 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -117.22 161.43 19.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 97' ' ' GLN . 7.4 p -112.83 157.45 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.52 ' OG1' ' CB ' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -47.44 -21.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -72.5 -39.97 67.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.2 mt-30 -81.91 -34.66 29.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.453 ' CG2' ' CB ' ' A' ' 65' ' ' ALA . 2.0 tt -66.29 -42.9 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 95' ' ' THR . 3.2 pt20 -71.09 -28.94 64.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -73.32 -20.8 60.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.374 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.35 -23.55 13.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.916 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.43 -33.5 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 1.9 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.576 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -115.15 -70.54 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 109.566 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 4.8 p -43.89 -49.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.662 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -67.44 -39.32 85.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -23.77 58.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.2 mt -90.7 -21.01 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.27 -26.96 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt 80.9 17.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.662 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 6.5 m -91.1 26.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 113' ' ' ASN . 0.3 OUTLIER -128.05 118.75 24.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.435 ' C ' ' O ' ' A' ' 112' ' ' PHE . 69.6 m-80 -37.89 -33.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.3 OUTLIER 178.3 -80.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 tttm 179.91 87.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.43 158.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.486 0.184 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.27 -97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.535 ' CD1' ' CD2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -104.55 -173.24 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -128.41 -164.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -97.04 -4.66 39.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.5 -28.45 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.758 ' CD2' ' CZ ' ' A' ' 43' ' ' PHE . 5.2 m-30 -99.22 19.55 15.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' N ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.71 132.77 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' C ' ' N ' ' A' ' 11' ' ' LYS . 5.1 mt -105.5 114.83 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -39.57 -29.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 91.07 -9.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.206 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.7 m-20 -121.54 -89.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.41 -47.92 62.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.467 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -58.81 -23.33 60.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.669 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -94.0 -33.44 13.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' ASN . 4.9 pt20 -68.68 -41.87 78.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 16' ' ' GLN . 86.0 mtt180 -59.14 -22.92 61.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.548 ' CD1' ' N ' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -82.15 -59.69 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.605 ' CD1' ' CE2' ' A' ' 33' ' ' TYR . 9.4 m-85 -60.42 -13.54 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 -15.95 14.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.31 165.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.597 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 8.1 p-80 -115.69 106.86 14.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.607 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.652 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 16.5 p -89.99 141.6 28.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.477 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 3.8 m -128.63 151.72 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.1 139.17 33.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 9.1 p30 -89.65 -81.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.459 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -123.08 -49.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 2.9 pm0 -140.09 9.82 2.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.522 ' O ' ' CG2' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -131.75 136.15 47.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.14 148.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.477 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 15.4 m -130.86 113.49 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.652 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 5.0 m-85 -87.23 118.07 26.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 p -141.8 155.22 45.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' ASN . 44.9 t 178.89 -76.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' CYS . 1.0 OUTLIER -37.22 99.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' CYS . 40.2 t30 -139.18 -54.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -38.93 80.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.01 39.73 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.474 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -165.13 -135.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.646 1.216 . . . . 0.0 109.257 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.474 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 6.0 p-10 160.43 -18.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.447 ' NE2' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -123.76 115.78 21.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 109.547 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.758 ' CZ ' ' CD2' ' A' ' 7' ' ' TYR . 45.1 p90 -54.84 -166.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.06 126.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.545 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -99.1 138.43 36.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.19 -46.87 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mt 71.75 139.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.484 ' OG ' ' CE2' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -148.98 140.73 23.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 50' ' ' SER . 2.0 t -146.66 159.6 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 23.9 t -93.38 160.16 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 2.92 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -100.13 -14.84 18.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 88' ' ' GLN . 28.1 mt -43.71 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 179.51 -116.84 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -174.34 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.98 -22.73 22.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.13 -29.26 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 2.7 pp -88.38 -39.57 14.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.55 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -73.11 -5.33 38.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -94.13 -34.67 12.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -36.12 60.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.519 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 85.3 mt -64.07 -32.56 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -92.01 -48.03 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.464 ' N ' ' O ' ' A' ' 60' ' ' ASN . 7.3 ttt180 -50.45 -68.56 0.16 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -52.43 -25.72 10.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.519 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 1.0 OUTLIER -68.13 -39.54 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 4.15 50.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 110.233 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.44 -4.7 14.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.416 ' OD1' ' CD ' ' A' ' 99' ' ' GLN . 2.5 t30 -120.75 -3.99 9.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.545 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -98.8 -33.27 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -53.37 -23.07 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.203 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.5 m -91.99 -39.25 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.593 1.183 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.554 ' ND1' ' NE2' ' A' ' 76' ' ' HIS . 24.2 m-70 -74.59 -12.36 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.562 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.41 -6.56 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.2 -11.47 26.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.554 ' NE2' ' ND1' ' A' ' 73' ' ' HIS . 0.8 OUTLIER -134.36 17.82 3.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.722 ' CG2' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -80.93 142.51 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.736 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.55 156.41 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -39.27 114.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER 172.4 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.4 OUTLIER -34.42 96.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -87.93 113.25 24.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.669 ' CG2' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -140.51 98.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 3.8 m -90.94 114.76 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.599 ' CD1' ' CD1' ' A' ' 33' ' ' TYR . 2.1 mp -102.46 149.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.426 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -94.69 118.21 31.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' ALA . 2.1 tpt180 -59.24 -146.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.479 ' O ' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -86.85 -58.92 0.28 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.337 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 6.54 3.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.797 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.73 -13.95 38.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.372 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.52 -25.04 31.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -81.44 -5.47 57.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.465 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -74.89 -172.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.44 ' C ' ' N ' ' A' ' 96' ' ' LEU . 1.5 p -156.84 160.99 39.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -49.06 -17.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 110.431 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 94' ' ' THR . 3.0 tm? -83.0 -45.9 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' C ' ' N ' ' A' ' 99' ' ' GLN . 36.3 mt-30 -72.49 -40.75 66.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -44.91 -25.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.42 ' N ' ' C ' ' A' ' 97' ' ' GLN . 4.1 mm100 -88.12 -43.3 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -67.01 -9.77 42.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -89.73 -66.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.21 -44.82 11.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -47.41 -27.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -111.21 -75.82 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.523 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 7.9 p -36.86 -54.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.563 ' C ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -63.16 -45.3 92.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' HIS . 6.0 tmtt? -49.52 -26.2 3.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.241 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.422 ' CD1' ' NE2' ' A' ' 104' ' ' HIS . 16.7 mt -85.45 -39.19 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -53.69 -39.78 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.424 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 3.1 tttm 82.88 31.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.507 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 11.4 m -88.93 20.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.721 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -158.3 137.54 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.512 ' C ' ' N ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -92.94 -39.91 10.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -46.21 -18.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.616 ' CG ' ' O ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER 40.82 60.22 2.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.496 ' CD1' ' CE1' ' A' ' 76' ' ' HIS . 1.2 mp -39.51 145.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.7 tttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.249 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptt? . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.483 0.182 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.638 ' CD2' ' N ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -177.37 168.03 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.402 ' CD1' ' CE2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -158.51 -159.13 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 72.95 -106.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -76.4 -3.82 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.6 -50.17 59.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -110.54 42.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.032 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.18 172.72 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 mm -124.47 70.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 -19.83 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -87.89 115.96 25.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -42.56 -43.69 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -49.92 -43.43 49.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' LYS . 31.5 m-20 -57.02 -26.84 60.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.8 m-85 -94.46 -37.12 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -71.58 -38.32 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -57.78 -22.53 47.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.5 mm -87.09 -54.33 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.527 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 4.7 m-85 -64.38 -12.79 46.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.07 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -59.59 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.26 12.68 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.34 173.73 3.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.162 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.486 ' NE2' ' CG1' ' A' ' 25' ' ' VAL . 23.3 t60 -117.67 107.34 14.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 0.806 . . . . 0.0 109.626 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.632 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 73.1 p -94.7 139.7 30.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.486 ' CG1' ' NE2' ' A' ' 23' ' ' HIS . 34.1 m -130.32 127.98 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.12 132.5 54.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 2.6 p-10 -85.61 -81.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -122.41 -53.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.525 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -129.51 -2.68 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.472 ' CB ' ' OD1' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -105.55 146.01 30.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.946 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.462 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -139.62 105.18 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.473 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 23.0 m -102.38 132.34 48.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.65 ' CD1' ' CD1' ' A' ' 85' ' ' ILE . 3.1 m-85 -105.16 149.57 25.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.433 ' CG2' ' C ' ' A' ' 33' ' ' TYR . 3.9 p -149.79 163.57 37.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 39.2 t -177.98 153.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 108.261 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 173.13 144.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.8 t30 172.75 46.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.36 -78.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -167.57 130.03 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.641 ' CG2' ' CB ' ' A' ' 79' ' ' ALA . 5.8 tp -111.72 163.91 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 42' ' ' HIS . 3.0 p-10 -107.4 43.2 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER 86.19 151.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.555 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 36.8 p90 -46.9 86.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -75.86 91.24 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.61 ' CD1' ' CD2' ' A' ' 70' ' ' PHE . 1.7 mt -78.21 138.39 38.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.508 ' O ' ' CD1' ' A' ' 47' ' ' ILE . . . -118.58 -141.51 6.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -167.81 122.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.401 0.706 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.516 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 54.2 m -140.84 138.11 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 50' ' ' SER . 55.5 t -152.56 168.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.508 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 29.6 t -90.3 160.7 16.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -7.11 23.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -14.23 26.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.92 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -168.96 -114.58 0.3 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.16 -179.91 4.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.54 -22.45 65.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.7 -28.93 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.91 -47.14 60.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.25 -0.07 30.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.7 m-20 -100.39 -31.0 11.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.13 -16.7 34.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.392 1.057 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 90' ' ' ALA . 26.1 mt -88.01 -32.96 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.22 -16.2 25.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.369 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 6.5 ttt180 -79.41 -60.94 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -40.8 -52.32 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.52 -44.46 56.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ARG . 9.0 mtp-105 -68.58 -7.35 31.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.83 -13.29 14.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -96.03 -55.48 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.61 ' CD2' ' CD1' ' A' ' 45' ' ' LEU . 2.0 m-85 -60.27 -11.77 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.04 -47.4 86.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.461 ' CG2' ' CD2' ' A' ' 73' ' ' HIS . 2.7 m -74.93 -42.74 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.461 ' CD2' ' CG2' ' A' ' 72' ' ' VAL . 74.9 m-70 -78.4 6.42 8.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -55.41 -43.16 75.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.64 -0.25 54.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.527 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.7 OUTLIER -102.07 -24.33 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.59 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.616 ' CG2' ' CB ' ' A' ' 43' ' ' PHE . 1.7 mp -82.63 142.07 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.629 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -109.69 169.33 8.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.641 ' CB ' ' CG2' ' A' ' 40' ' ' ILE . . . -61.33 129.71 42.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 9.8 mttt 167.77 118.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -51.25 112.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.381 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.522 ' CG2' ' CG1' ' A' ' 111' ' ' VAL . 1.6 pp -128.59 -169.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.421 ' CG1' ' O ' ' A' ' 82' ' ' ILE . 0.2 OUTLIER 173.41 130.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 16.9 m -98.52 108.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.215 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.65 ' CD1' ' CD1' ' A' ' 33' ' ' TYR . 0.7 OUTLIER -111.08 147.36 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.576 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -97.88 124.13 42.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.576 ' O ' ' O ' ' A' ' 86' ' ' ALA . 21.6 mmm180 -47.42 -171.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.266 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.516 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.8 OUTLIER -56.32 -50.83 85.37 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.3 Cg_endo -74.99 -97.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.514 ' O ' ' CD1' ' A' ' 62' ' ' ILE . . . 60.08 5.18 0.73 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -96.08 -36.18 11.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -80.67 -0.4 38.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.525 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 6.3 ttp -101.24 140.23 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 97' ' ' GLN . 10.9 p -107.23 151.81 24.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.392 1.057 . . . . 0.0 110.377 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.64 -23.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.6 -38.71 90.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 94' ' ' THR . 20.5 mt-30 -83.85 -17.49 40.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.46 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 81.9 mt -69.55 -58.04 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.27 -16.17 13.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -100.28 -18.02 17.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 104' ' ' HIS . 4.5 m -91.83 -41.19 10.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.442 ' O ' ' CD2' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -52.86 -23.9 7.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.62 1.44 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.523 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.7 OUTLIER -126.26 -75.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 4.3 p -42.19 -52.65 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.686 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -67.04 -39.75 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -56.22 -35.19 67.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.0 mt -79.84 -26.73 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.11 . . . . 0.0 109.235 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -49.91 -34.57 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 15.6 tttm 88.11 20.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.686 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 21.9 m -90.84 26.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -127.2 125.38 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -53.59 -30.22 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -155.75 -43.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 0.1 OUTLIER 95.77 87.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.38 146.66 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.235 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 mtp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.565 0.222 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.0 135.79 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.644 ' CD1' ' CZ ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 70.88 -157.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.428 ' C ' ' N ' ' A' ' 6' ' ' ALA . 44.1 tt0 78.78 -116.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.237 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -59.47 -7.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.363 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' CB ' ' CG ' ' A' ' 42' ' ' HIS . . . -65.59 -45.75 82.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.644 ' CZ ' ' CD1' ' A' ' 3' ' ' LEU . 22.4 m-85 -34.64 -41.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -80.45 150.88 29.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 10' ' ' LYS . 18.4 mm -61.05 102.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' ILE . 1.2 tptp -39.34 -44.96 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.423 ' N ' ' OD2' ' A' ' 14' ' ' ASP . 3.6 tptt -161.99 159.31 26.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' PHE . 3.2 t-20 -45.67 -40.46 9.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -40.54 -65.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.517 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 1.8 m-20 -40.42 -37.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.667 ' CE1' ' CD1' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -78.61 -41.61 31.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.054 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 4.7 pt20 -66.69 -44.32 82.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 37' ' ' ASN . 2.9 mpt_? -50.88 -24.17 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.517 ' CG1' ' O ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER -84.96 -50.09 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -64.43 -13.13 49.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -78.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -127.53 11.41 6.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.239 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.36 167.05 0.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -122.7 106.85 11.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.554 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.662 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 51.6 p -105.36 164.42 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.546 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 24.4 m -137.94 128.45 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.36 131.47 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 6.2 p30 -85.03 -89.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.4 mmt85 -115.66 -45.74 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' OE1' ' O ' ' A' ' 89' ' ' PRO . 7.6 mt-30 -144.99 14.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.546 ' O ' ' CG2' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -134.09 134.29 42.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.507 ' CG2' ' CD1' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -123.32 149.07 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.546 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 14.0 m -132.63 106.32 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.662 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 4.2 m-85 -80.32 123.01 27.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.1 p -139.73 154.17 47.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.424 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.6 t -178.97 160.09 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.243 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -104.98 112.06 25.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 17' ' ' ARG . 27.6 m-80 -73.75 -90.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -119.66 30.78 6.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 67.58 76.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.345 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.3 tt -77.83 -179.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -125.82 10.08 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.535 ' CG ' ' CB ' ' A' ' 6' ' ' ALA . 1.8 p-80 -146.89 152.92 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.548 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.434 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 12.9 p90 -103.39 107.51 18.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 111.057 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' A' ' 82' ' ' ILE . 1.0 OUTLIER -66.79 95.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -77.46 92.2 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.89 -177.18 36.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.413 1.071 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mp -145.95 131.76 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 0.794 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.6 m -133.88 130.22 37.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 50' ' ' SER . 2.5 t -115.04 162.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -95.32 169.45 10.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.03 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -0.18 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -108.71 -18.84 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -38.66 -69.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 170.82 -109.76 0.33 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -156.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.423 0.719 . . . . 0.0 109.26 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.37 -19.73 13.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.32 -25.88 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -85.77 -25.19 26.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.422 1.076 . . . . 0.0 109.235 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.512 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -87.89 -11.01 48.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.75 -31.4 20.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 -33.06 38.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 47.5 mt -72.51 -40.73 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.69 -26.21 50.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -72.28 -50.49 26.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.68 -20.2 65.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.68 -36.91 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 109.277 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -100.13 10.54 41.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.9 -3.38 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.345 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.514 ' O ' ' NE2' ' A' ' 73' ' ' HIS . 9.8 t-20 -121.92 -39.92 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.467 ' CE2' ' CG1' ' A' ' 84' ' ' VAL . 3.7 m-85 -73.67 5.63 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 2.52 28.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.524 ' CG2' ' N ' ' A' ' 73' ' ' HIS . 1.4 m -108.0 -51.58 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.545 ' CB ' ' NE2' ' A' ' 76' ' ' HIS . 0.5 OUTLIER -85.39 8.85 17.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.573 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.81 -9.13 49.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.47 -39.18 17.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.545 ' NE2' ' CB ' ' A' ' 73' ' ' HIS . 0.9 OUTLIER -103.48 26.02 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -104.14 140.65 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.585 ' CD1' ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -110.35 176.26 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -59.52 -154.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 90.72 116.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -46.97 121.57 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.198 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.419 ' O ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -127.12 136.87 59.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.667 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 96.7 mt -146.46 108.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.467 ' CG1' ' CE2' ' A' ' 70' ' ' PHE . 3.5 m -93.67 110.91 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.625 ' CD1' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -102.79 144.17 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.441 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -89.99 115.21 27.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.441 ' O ' ' O ' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -54.76 -164.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -81.11 -54.17 0.73 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.452 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.0 Cg_endo -75.08 3.84 5.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.43 1.753 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.19 -15.73 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -56.78 17.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 5.1 m-20 -47.58 -30.66 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -85.43 128.21 34.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 98' ' ' ILE . 12.9 p -118.74 -171.46 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.467 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 1.3 m -54.43 -15.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -91.05 -45.45 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 92' ' ' ASP . 33.8 mt-30 -78.47 -13.07 60.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -64.7 -54.88 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.467 ' NE2' ' O ' ' A' ' 95' ' ' THR . 8.7 mt-30 -55.52 -18.34 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.88 -17.9 27.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.435 ' OG ' ' ND2' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -98.31 -51.91 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.977 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.9 -26.2 23.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.82 0.82 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.212 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.489 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.2 t-160 -128.12 -75.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 6.2 p -39.02 -55.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.558 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.82 -40.44 88.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 104' ' ' HIS . 12.7 tttt -57.12 -17.46 10.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.6 mt -95.8 -39.19 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -50.36 -40.17 48.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 78.5 33.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.558 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 16.0 m -81.27 4.25 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 112' ' ' PHE . 2.9 p90 -129.03 122.92 31.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.585 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 5.3 p30 -57.43 -47.44 81.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.397 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 115' ' ' LYS . 2.8 mttt 165.4 -93.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.0 mttp 30.25 43.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 114' ' ' LYS . 0.4 OUTLIER -99.33 157.98 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 109.357 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.413 ' N ' ' CG2' ' A' ' 116' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.7 mtt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.535 0.207 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.83 -59.9 2.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.639 ' CD1' ' CZ ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -70.65 -160.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.427 ' C ' ' N ' ' A' ' 6' ' ' ALA . 2.6 mm-40 -64.17 -134.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.27 -5.22 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.427 ' N ' ' C ' ' A' ' 4' ' ' GLU . . . 75.62 22.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.827 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 11.8 m-85 66.38 18.04 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -77.77 118.88 20.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.25 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 ' CG2' ' CD2' ' A' ' 15' ' ' PHE . 13.3 mt -89.96 98.34 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -100.86 4.57 42.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -111.96 161.63 16.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.4 m-20 -89.08 -19.98 24.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -61.86 -50.15 73.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.87 -33.39 74.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.539 ' CD1' ' CD1' ' A' ' 83' ' ' ILE . 1.1 m-85 -80.18 -25.74 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 tt0 -85.12 -37.68 19.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' ALA . 41.2 mtt180 -50.52 -25.5 4.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -88.15 -48.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CE1' ' CD2' ' A' ' 33' ' ' TYR . 7.8 m-85 -64.96 -16.69 63.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -70.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -60.23 -22.66 63.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.36 122.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.592 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 7.4 t-160 179.22 59.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 109.623 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.627 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 2.6 p -97.32 158.87 15.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' VAL . 19.0 m -150.28 128.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.59 106.13 14.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.621 ' OD1' ' CE1' ' A' ' 104' ' ' HIS . 11.1 t-20 -53.68 -96.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.504 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.6 OUTLIER -124.53 -39.81 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.515 ' NE2' ' CG ' ' A' ' 93' ' ' MET . 6.6 mt-30 -139.58 9.78 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.79 144.84 47.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.501 ' CG2' ' CD1' ' A' ' 85' ' ' ILE . 1.7 m -116.84 130.1 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.486 ' N ' ' O ' ' A' ' 25' ' ' VAL . 0.9 OUTLIER -119.96 120.99 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.627 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 4.2 m-85 -109.01 95.53 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.427 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 7.7 p -114.08 147.23 39.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -179.01 174.98 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.376 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.17 88.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -113.69 57.49 0.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.371 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.07 -57.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.88 56.91 2.02 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -138.01 176.57 6.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.612 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -130.96 4.95 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.612 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 2.5 m170 157.32 173.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.676 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.827 ' CZ ' ' CZ ' ' A' ' 7' ' ' TYR . 54.6 p90 -74.78 108.0 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 82' ' ' ILE . 5.1 mtt180 -86.58 96.78 10.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.478 ' CD1' ' CD2' ' A' ' 70' ' ' PHE . 9.0 mt -77.3 115.04 16.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -101.03 153.88 19.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 32.8 mm -135.75 110.49 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.311 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.6 m -141.81 175.24 9.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.978 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.59 -165.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -102.09 168.21 9.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.99 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -4.46 43.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -24.24 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -82.71 -104.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 52.25 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -175.44 170.69 2.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 0.73 . . . . 0.0 109.253 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.18 -21.51 18.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -81.05 -31.67 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.501 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 4.1 pp -85.34 -45.68 11.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' A' ' 63' ' ' LYS . 14.2 ttp180 -64.93 -8.44 15.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.1 m-20 -93.01 -14.95 26.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -115.22 -11.28 12.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.437 ' CD1' ' CD2' ' A' ' 53' ' ' LEU . 97.2 mt -108.71 -29.08 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -98.08 -15.95 19.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 8.1 ttt180 -70.51 -52.27 23.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.425 ' CB ' ' CG2' ' A' ' 98' ' ' ILE . . . -71.29 -23.37 61.94 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.474 ' O ' ' CG ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -72.48 -37.82 58.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 10.12 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.28 -28.54 12.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -108.01 -9.76 15.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.478 ' CD2' ' CD1' ' A' ' 45' ' ' LEU . 2.1 m-30 -81.6 -8.24 59.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.69 -4.12 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -117.34 -45.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.503 ' O ' ' N ' ' A' ' 76' ' ' HIS . 86.8 m-70 -76.21 -7.76 55.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 tttm -45.21 -31.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -96.21 -21.97 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.942 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 73' ' ' HIS . 3.5 m170 -76.01 -21.78 56.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 mp -95.57 144.29 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.532 ' CD1' ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.91 175.14 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.61 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -55.67 133.61 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.61 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 155.43 110.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -41.75 103.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.455 ' O ' ' CG1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -116.22 148.65 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.539 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 18.3 mt -154.57 114.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.544 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 4.1 m -100.67 94.72 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.501 ' CD1' ' CG2' ' A' ' 31' ' ' VAL . 0.6 OUTLIER -91.07 143.75 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.16 121.26 28.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.506 ' O ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -57.1 -161.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.423 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 1.4 tm0? -81.61 -55.83 0.61 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.423 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.0 Cg_endo -75.03 6.6 3.31 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.15 -4.72 22.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.445 ' CB ' ' CD2' ' A' ' 53' ' ' LEU . 3.9 ptpp? -83.92 -29.81 26.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.5 0.1 35.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.515 ' CG ' ' NE2' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -75.95 -167.04 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.456 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 63.4 p -150.3 169.12 22.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -9.31 7.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -95.63 -42.34 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -60.72 -58.99 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 61' ' ' LYS . 2.0 mp -37.18 -58.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -53.06 -44.81 67.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 97' ' ' GLN . 39.8 m-20 -68.25 -24.2 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.567 ' O ' ' N ' ' A' ' 104' ' ' HIS . 5.1 p -73.69 -56.71 4.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.4 mp -47.49 -34.61 7.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.33 -4.97 6.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 110.343 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.633 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -130.7 -72.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.565 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 11.7 p -39.11 -53.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.689 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -71.89 -40.96 68.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.49 -40.71 27.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.44 ' O ' ' C ' ' A' ' 109' ' ' ALA . 54.8 mt -70.84 -45.5 73.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.546 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -37.39 -44.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 2.7 ttmt 91.28 24.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.689 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 32.3 m -84.26 17.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -107.02 119.57 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.532 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 0.9 OUTLIER -48.59 -47.73 39.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.585 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -138.22 -41.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 0.2 OUTLIER 94.19 88.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.73 147.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.223 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.3 tttt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mmt . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.481 0.182 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -68.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -133.23 155.56 49.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -110.18 -133.57 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -6.03 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 72.04 22.65 3.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.276 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 65.05 23.23 12.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -73.0 133.17 44.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.542 ' O ' ' CB ' ' A' ' 10' ' ' LYS . 1.4 mt -101.23 -155.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.542 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.1 OUTLIER 161.04 -26.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.46 139.5 58.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.2 t-20 -59.3 -21.91 60.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.386 1.054 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.7 -67.34 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.516 ' CB ' ' CG2' ' A' ' 9' ' ' ILE . 0.4 OUTLIER -58.56 -16.04 13.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.534 ' CE1' ' OG ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -94.03 -20.61 19.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 tt0 -89.51 -53.19 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -42.63 -26.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.484 ' O ' ' CA ' ' A' ' 22' ' ' GLY . 1.6 mt -90.65 -47.26 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.796 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 4.6 m-85 -68.52 -6.54 25.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -92.24 -79.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.24 -20.95 16.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.484 ' CA ' ' O ' ' A' ' 18' ' ' ILE . . . -49.96 177.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -139.75 126.3 20.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.573 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 85.7 p -115.31 157.37 23.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.049 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.586 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 30.7 m -130.01 124.89 59.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.1 137.1 52.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.215 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.739 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 1.1 p30 -102.94 -59.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.739 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -130.8 -74.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.492 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 1.4 pm0 -124.78 10.25 8.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.511 ' CE2' ' CG2' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -120.65 125.17 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.18 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.53 104.19 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.586 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 16.4 m -91.9 125.14 44.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.796 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 1.4 m-85 -97.56 128.73 44.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 21.6 p -143.1 141.63 31.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.346 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 0.1 OUTLIER 174.9 172.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 108.293 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 10.7 t-20 79.1 103.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.09 24.53 12.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.613 1.195 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.23 148.24 32.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 47.8 75.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.234 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.9 tp -94.48 167.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.416 ' C ' ' CD2' ' A' ' 42' ' ' HIS . 7.0 t70 -137.08 33.06 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' A' ' 41' ' ' ASP . 22.3 m-70 79.92 164.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 43' ' ' PHE . 20.7 p90 -55.13 112.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.51 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 23.9 mtt180 -90.39 -176.02 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.667 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -157.44 113.38 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.99 -60.4 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.495 ' CG2' ' CD ' ' A' ' 63' ' ' LYS . 19.9 mt 70.38 109.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.534 ' OG ' ' CE1' ' A' ' 15' ' ' PHE . 5.7 m -139.38 160.39 39.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.465 ' CG1' ' N ' ' A' ' 50' ' ' SER . 75.7 t -150.39 166.84 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.465 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 2.3 t -94.72 165.44 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -103.54 2.77 33.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' LEU . 2.7 mttt -110.53 -14.66 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.531 ' O ' ' CD ' ' A' ' 91' ' ' LYS . 0.1 OUTLIER -37.12 -73.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.98 -111.19 0.42 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -99.03 177.42 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.51 -25.27 65.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 p -50.86 -41.0 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.522 ' CB ' ' CD2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.89 -44.22 61.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 63' ' ' LYS . 14.3 ttm-85 -66.72 -9.87 40.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.6 m-20 -97.2 -34.76 10.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.0 mttp -76.81 -37.12 56.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.257 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.4 mt -72.3 -26.66 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.495 ' CD ' ' CG2' ' A' ' 47' ' ' ILE . 11.0 mmpt? -96.89 -18.32 19.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 8.4 ttt180 -81.94 -66.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -47.26 -41.37 18.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.9 tp -67.05 -33.36 62.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -80.97 -2.13 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.75 -16.48 14.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -100.53 -27.33 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.667 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 1.4 m-85 -78.41 -40.44 35.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -66.44 -42.16 88.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.472 ' CG1' ' N ' ' A' ' 73' ' ' HIS . 7.7 p -69.93 -51.86 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.472 ' N ' ' CG1' ' A' ' 72' ' ' VAL . 96.1 m-70 -84.3 13.37 5.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.576 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' PHE . 33.5 ttpt -52.08 -36.57 51.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.41 16.89 24.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.509 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 1.2 m170 -120.46 4.96 10.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 73' ' ' HIS . 1.3 mp -113.44 156.1 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.678 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -111.61 176.7 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -78.74 131.62 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 82' ' ' ILE . 1.2 mtpp 163.97 118.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -34.92 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.51 ' CG2' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -111.06 124.54 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 33' ' ' TYR . 23.0 mt -145.29 111.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.511 ' CG2' ' CE2' ' A' ' 30' ' ' PHE . 2.6 m -102.49 128.31 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.548 ' CD1' ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -111.81 158.02 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.555 ' O ' ' N ' ' A' ' 88' ' ' GLN . . . -89.44 40.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.4 OUTLIER 37.59 -91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 86' ' ' ALA . 1.2 mt-30 -166.59 -59.04 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 91' ' ' LYS . 18.2 Cg_endo -75.01 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 93' ' ' MET . . . -49.42 -21.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.531 ' CD ' ' O ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -55.55 -20.63 13.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -98.14 15.59 23.85 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.492 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 7.0 ttp -106.97 147.87 29.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 97' ' ' GLN . 1.0 OUTLIER -115.51 150.75 36.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -47.41 -21.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.3 tm? -69.48 -38.59 77.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.46 ' O ' ' N ' ' A' ' 101' ' ' SER . 23.3 mt-30 -80.45 -36.83 33.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.421 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 72.4 mt -48.46 -33.75 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -38.06 44.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -70.24 -43.31 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' GLN . 24.4 m -63.66 -49.72 72.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.96 -31.25 50.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.86 -0.45 16.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.543 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.7 t-160 -130.68 -74.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.599 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 9.7 p -35.51 -54.96 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.52 ' C ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -66.46 -41.83 88.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 104' ' ' HIS . 8.6 tttt -48.38 -24.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.602 1.189 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.436 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 13.8 mt -87.66 -41.2 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.97 77.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 74.0 34.67 0.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 28.5 m -90.66 7.28 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.692 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -137.06 119.81 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 112' ' ' PHE . 42.7 m-80 -36.27 -47.02 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.62 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 175.46 -80.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 116' ' ' ILE . 0.8 OUTLIER 172.05 94.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -36.81 144.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.231 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.526 ' O ' ' CB ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.509 0.195 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.526 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER 160.78 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.734 ' CD1' ' CE1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -111.67 -175.36 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.361 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' C ' ' N ' ' A' ' 6' ' ' ALA . 3.2 tt0 -147.23 -147.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.338 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 7' ' ' TYR . 7.0 pttt -57.61 -5.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.47 ' N ' ' C ' ' A' ' 4' ' ' GLU . . . -38.15 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.924 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 17.8 m-85 -48.19 -19.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.468 ' N ' ' O ' ' A' ' 5' ' ' LYS . 10.3 ptp180 -76.55 138.84 40.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.2 mm -68.4 88.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -71.89 -45.4 61.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -89.54 136.28 33.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 16' ' ' GLN . 5.4 m-20 -64.44 -37.24 86.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -47.99 -50.19 28.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -51.84 -32.99 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.54 -41.0 16.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 111.037 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -66.26 -43.78 85.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -46.56 -36.7 7.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -75.88 -51.33 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.32 -14.03 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.15 -89.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' GLY . 14.0 mttt -126.87 14.96 7.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -51.13 -174.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' THR . 6.7 t60 -130.42 113.66 14.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.631 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.52 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 25.3 p -111.4 151.08 28.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.8 126.35 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.84 139.34 47.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.391 1.057 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.493 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 37.1 p-10 -120.14 -144.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -33.16 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -138.88 36.71 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -133.31 149.66 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 111.015 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -138.45 106.56 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 m -102.71 123.13 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.52 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 3.2 m-85 -106.16 122.25 45.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 23' ' ' HIS . 60.9 p -132.53 161.39 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 13.5 p -150.81 153.73 35.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 108.268 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -46.5 134.62 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' OD1' ' CG2' ' A' ' 40' ' ' ILE . 30.4 t-20 -40.29 130.09 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -90.86 23.31 3.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER 88.99 45.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.558 ' CG2' ' N ' ' A' ' 41' ' ' ASP . 4.2 tp -105.67 -138.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.558 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 4.1 p-10 156.89 18.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.782 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 43.9 m-70 -143.48 8.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.616 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.924 ' CE2' ' CE1' ' A' ' 7' ' ' TYR . 25.4 p90 47.92 153.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 mtm180 -143.34 99.05 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.378 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.553 ' C ' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.64 137.74 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -108.65 178.45 21.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mp -139.56 109.9 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.463 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 40.4 m -126.31 161.06 28.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.929 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 50' ' ' SER . 77.7 t -146.59 167.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.1 OUTLIER -93.45 170.49 9.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.77 -2.59 19.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -103.95 -14.76 15.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -39.15 -78.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.613 1.196 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 177.15 -109.09 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.081 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -100.03 176.8 5.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.99 -24.34 66.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.94 -41.06 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.9 mt -69.9 -44.63 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -68.49 -8.26 39.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -98.6 -29.02 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -34.75 22.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.087 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.3 mt -74.39 -39.72 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -70.37 -58.64 3.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 12.4 ptp180 -49.15 -41.43 36.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.469 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -74.67 -28.11 60.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.4 mt -74.99 -33.13 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -96.85 10.8 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -121.05 -2.49 9.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -96.54 -63.69 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.366 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 74' ' ' LYS . 1.5 m-85 -57.63 -22.61 46.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -52.68 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.609 1.193 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.5 m -75.01 -42.55 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 76' ' ' HIS . 87.9 m-70 -78.56 6.57 8.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 70' ' ' PHE . 15.9 ttpt -47.5 -55.18 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.06 -1.05 18.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.596 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.3 OUTLIER -103.15 -10.57 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.649 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.67 152.2 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.364 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.52 ' CD1' ' OD1' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -120.02 148.49 43.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.075 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.16 109.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -178.22 108.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -38.69 123.72 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -140.61 156.73 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.51 ' CD1' ' CD1' ' A' ' 15' ' ' PHE . 27.2 mt -154.4 107.11 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.3 m -90.03 110.08 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.463 ' CG2' ' CB ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -109.86 163.26 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.454 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -115.53 107.19 14.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.619 1.2 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' A' ' 86' ' ' ALA . 5.4 mtp180 -53.92 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.672 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -78.63 -41.09 1.78 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.672 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.5 Cg_endo -74.9 4.71 4.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.752 . . . . 0.0 111.016 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.92 -11.82 60.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.93 -34.62 66.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.39 2.9 23.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.423 ' SD ' ' CG1' ' A' ' 98' ' ' ILE . 2.9 ttp -106.28 130.88 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' GLN . 5.0 p -99.94 153.38 19.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.424 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -46.23 -23.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.412 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -68.1 -41.25 82.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' THR . 25.2 mt-30 -80.35 -16.34 54.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.423 ' CG1' ' SD ' ' A' ' 93' ' ' MET . 8.9 mt -65.34 -56.63 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -58.56 -25.99 63.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -90.4 -16.53 28.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 104' ' ' HIS . 17.3 m -89.8 -46.63 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -25.95 17.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.84 -0.01 14.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 110.247 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.3 t-160 -127.35 -75.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.504 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 4.6 p -38.78 -52.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.703 ' CD2' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -67.79 -43.53 79.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -54.02 -22.01 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.6 mt -88.32 -33.84 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.577 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -55.18 -37.46 67.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.1 OUTLIER 94.1 19.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 m -97.27 29.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.703 ' CE2' ' CD2' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -132.02 113.42 13.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.52 ' OD1' ' CD1' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -52.42 -53.67 42.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -131.06 -37.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 72.96 90.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.77 144.15 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.504 0.192 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.12 -134.4 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.523 ' CD2' ' CZ ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -112.49 -176.05 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.545 ' O ' ' CD2' ' A' ' 7' ' ' TYR . 11.3 tt0 -148.9 -133.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 7' ' ' TYR . 14.5 ptpt -57.71 -6.79 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.452 ' N ' ' C ' ' A' ' 4' ' ' GLU . . . -45.49 -24.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.653 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 44.1 m-85 -47.55 -21.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 1.7 ptt180 -117.21 158.25 24.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -57.17 111.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -40.93 72.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.39 163.16 40.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -45.13 -47.58 12.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.87 -47.75 21.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -59.76 -30.6 68.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -82.07 -35.98 28.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' TYR . 1.3 mt-30 -67.16 -53.62 28.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 110.263 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -40.45 -28.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.452 ' O ' ' CA ' ' A' ' 22' ' ' GLY . 1.4 mt -84.31 -48.5 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLN . 5.8 m-85 -62.96 -10.89 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -87.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -34.74 77.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 18' ' ' ILE . . . -61.42 143.96 48.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.525 ' CE1' ' OG1' ' A' ' 34' ' ' THR . 50.8 p-80 -94.73 -154.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 0.73 . . . . 0.0 109.568 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.632 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 78.7 p -174.58 146.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.546 ' O ' ' CB ' ' A' ' 26' ' ' ALA . 21.3 m -121.54 -141.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 25' ' ' VAL . . . 159.64 136.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.478 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 6.9 p-10 -96.24 -78.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.439 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 28.2 mmt180 -123.66 -55.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.472 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 1.4 pm0 -132.6 -0.7 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.478 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -116.85 148.1 41.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.939 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -134.61 138.81 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.421 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 15.6 m -120.22 120.69 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.632 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 5.7 m-85 -95.81 117.65 30.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.525 ' OG1' ' CE1' ' A' ' 23' ' ' HIS . 70.4 p -125.56 158.64 34.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.7 p -92.09 140.8 29.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 108.28 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 37' ' ' ASN . 1.7 t30 -99.46 149.12 23.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 10.4 p30 46.54 -172.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER 85.82 -48.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.92 118.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.544 ' CG2' ' N ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -110.48 -179.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.435 1.085 . . . . 0.0 109.368 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.502 ' C ' ' CB ' ' A' ' 79' ' ' ALA . 43.6 t0 -119.08 -11.11 9.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.415 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 2.2 p-80 -134.46 145.8 49.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.653 ' CZ ' ' CE1' ' A' ' 7' ' ' TYR . 11.2 p90 -102.21 94.59 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -54.75 137.1 45.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.602 ' CD1' ' CD2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -118.12 90.03 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.458 ' O ' ' CG2' ' A' ' 83' ' ' ILE . . . -112.59 133.01 11.09 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mp -113.86 126.86 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.404 0.708 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.419 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 0.4 OUTLIER -115.85 154.42 29.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 45.8 t -138.74 151.54 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -93.55 165.33 12.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.934 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -95.16 0.44 54.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.04 -19.91 14.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.478 ' CD2' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -41.66 -73.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.52 -110.74 0.39 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 -167.2 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.43 -22.08 17.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.66 -30.44 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 1.2 pp -80.0 -33.54 39.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.551 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -75.06 -11.31 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.529 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -88.69 -36.3 16.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.07 -12.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -90.76 -33.98 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -89.58 -50.79 5.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.529 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -58.23 -17.48 19.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.26 -51.04 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -65.5 -35.51 75.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -7.16 50.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.24 -43.18 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.503 ' ND2' ' CD2' ' A' ' 73' ' ' HIS . 1.2 t30 -71.09 -57.56 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CD2' ' CD1' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -51.55 -16.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 110.962 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' N ' ' C ' ' A' ' 69' ' ' ASN . 3.6 tptt -79.18 -29.86 43.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -95.44 -41.24 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.503 ' CD2' ' ND2' ' A' ' 69' ' ' ASN . 77.5 m-70 -81.71 6.85 14.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.11 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -49.01 -38.7 24.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.618 1.199 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.7 m -80.34 -18.48 48.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 73' ' ' HIS . 1.6 m170 -87.92 -20.55 25.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.595 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.49 ' CG2' ' N ' ' A' ' 78' ' ' LEU . 1.3 mp -79.82 164.07 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.627 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -146.29 152.67 39.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.596 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -38.92 131.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.596 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 6.2 mttp 155.19 104.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -41.66 130.27 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.5 ' CD1' ' C ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -143.1 149.91 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.566 ' O ' ' N ' ' A' ' 33' ' ' TYR . 5.1 mt -153.36 116.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.544 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 16.5 m -94.72 130.87 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.544 ' CD1' ' C ' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -119.77 153.71 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 87' ' ' ARG . . . -106.49 106.14 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 86' ' ' ALA . 10.6 mtm180 -53.92 -168.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 1.9 mt-30 -75.12 -46.78 4.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.3 Cg_endo -75.06 6.6 3.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.566 1.824 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' O ' ' CD1' ' A' ' 62' ' ' ILE . . . -89.8 -3.18 58.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.48 -34.32 60.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.49 22.27 6.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.225 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.472 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 4.8 ttp -97.52 156.74 16.36 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.543 1.152 . . . . 0.0 111.068 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 97' ' ' GLN . 0.8 OUTLIER -118.02 150.12 39.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.448 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 1.6 m -47.47 -22.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.66 -40.49 72.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.8 mt-30 -83.06 -10.67 58.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 24.4 mt -84.96 -44.01 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.448 ' NE2' ' O ' ' A' ' 95' ' ' THR . 1.4 pt20 -75.17 -10.1 59.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -98.82 -12.15 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 105' ' ' VAL . 58.3 m -88.25 -45.41 10.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.437 ' O ' ' CB ' ' A' ' 106' ' ' LEU . 1.4 mp -47.89 -44.46 29.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -52.25 -22.63 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.629 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -115.73 -74.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.63 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.508 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 3.7 p -38.76 -52.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.638 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -63.78 -43.48 96.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 104' ' ' HIS . 1.2 pttt -49.32 -33.7 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.526 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 18.6 mt -77.48 -33.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.463 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -52.48 -32.92 42.27 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.2 OUTLIER 84.82 17.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.638 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 5.4 m -95.03 27.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.531 ' CE2' ' CD2' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -124.87 104.82 8.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 114' ' ' LYS . 0.7 OUTLIER -75.2 -50.23 16.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.506 ' N ' ' ND2' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -78.77 -21.0 48.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.8 pttm 39.85 51.06 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.0 146.35 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.8 tttt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.487 0.184 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 3' ' ' LEU . 72.6 mt 54.06 99.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 2' ' ' LEU . 23.1 tp 57.39 155.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.402 ' C ' ' N ' ' A' ' 6' ' ' ALA . 2.1 mm-40 -97.35 -132.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 pttm -61.78 -6.3 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.402 ' N ' ' C ' ' A' ' 4' ' ' GLU . . . 71.8 22.66 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.55 ' CE2' ' CE1' ' A' ' 43' ' ' PHE . 9.5 m-85 61.24 21.17 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . 5.6 mtt180 -73.48 134.27 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 2.2 mm -49.81 93.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -81.65 -35.48 29.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.03 162.77 13.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 15' ' ' PHE . 6.6 m-20 -76.11 -50.78 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -47.19 -51.95 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -49.78 -26.3 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.1 OUTLIER -94.59 -39.81 10.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.923 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.9 pp0? -65.63 -34.37 78.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.4 OUTLIER -60.97 -31.63 71.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' GLY . 5.8 mm -74.33 -65.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -52.58 -18.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 10.68 9.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -47.63 159.97 0.48 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.449 ' NE2' ' CG1' ' A' ' 25' ' ' VAL . 7.3 t60 -112.11 103.05 11.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.23 152.18 25.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.521 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 24.6 m -142.72 125.91 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.22 134.45 55.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.718 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -94.94 -58.16 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.718 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 5.8 mtp85 -128.37 -75.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 0.4 OUTLIER -119.76 -4.62 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.42 155.6 17.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -145.81 105.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.521 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 34.0 m -98.66 134.29 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.483 ' N ' ' O ' ' A' ' 83' ' ' ILE . 18.4 m-85 -103.92 131.97 50.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 66.6 p -147.63 151.69 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -176.05 173.77 2.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 108.347 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -151.13 86.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.92 -39.86 63.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -148.2 -67.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -175.64 120.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.463 ' CG2' ' CB ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -78.96 -166.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.504 ' C ' ' CG ' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -142.97 16.19 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.504 ' CG ' ' C ' ' A' ' 41' ' ' ASP . 0.4 OUTLIER 165.35 160.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.513 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 41.0 p90 -79.37 109.06 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' A' ' 82' ' ' ILE . 40.9 mtm180 -81.68 108.82 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.84 108.69 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.506 ' O ' ' CD1' ' A' ' 47' ' ' ILE . . . -115.27 147.0 18.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 46' ' ' GLY . 0.9 OUTLIER -139.25 137.77 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.492 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 1.2 m -142.4 -172.94 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 50' ' ' SER . 3.0 t -162.96 164.18 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.51 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 28.4 t -98.25 162.66 13.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.058 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.1 2.09 48.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -15.66 15.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -45.11 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.05 -109.4 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 t30 -81.03 -169.95 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 0.729 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.75 -21.01 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -67.81 -32.95 58.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.496 ' CD1' ' CB ' ' A' ' 91' ' ' LYS . 1.4 pt? -81.47 -44.41 17.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -65.36 -11.87 46.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -84.56 -30.35 25.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.58 -31.57 60.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.4 mt -70.74 -26.36 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.24 -38.7 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.514 ' N ' ' O ' ' A' ' 60' ' ' ASN . 11.9 ttt180 -57.39 -67.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 69' ' ' ASN . . . -39.67 -42.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -47.71 90.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -70.5 -4.72 24.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -117.8 -2.46 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 65' ' ' ALA . 16.4 t-20 -116.46 -43.91 2.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.01 1.13 18.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 111.055 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -82.51 -37.7 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' NE2' ' A' ' 76' ' ' HIS . 3.0 m -82.49 -40.48 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.52 ' O ' ' CG1' ' A' ' 77' ' ' ILE . 57.5 m-70 -68.73 -4.38 15.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.635 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.19 -17.84 64.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.616 ' C ' ' CD2' ' A' ' 76' ' ' HIS . 5.7 t -94.21 21.91 6.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.947 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.699 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -155.3 28.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.59 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.52 ' CG1' ' O ' ' A' ' 73' ' ' HIS . 0.9 OUTLIER -114.12 161.0 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -129.37 173.6 10.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.463 ' CB ' ' CG2' ' A' ' 40' ' ' ILE . . . -63.28 122.5 16.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.327 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 8.2 mttt 166.08 108.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 2.1 p30 -39.34 127.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.508 ' CG2' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -133.01 138.61 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' TYR . 2.2 mt -152.88 116.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.536 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 3.5 m -97.56 121.95 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.629 ' CD1' ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -115.86 158.79 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -95.32 102.28 14.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.449 ' C ' ' O ' ' A' ' 86' ' ' ALA . 1.5 mmm180 -35.1 -70.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.626 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 168.85 -43.44 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.05 2.98 6.05 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.75 -25.44 59.09 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.496 ' CB ' ' CD1' ' A' ' 58' ' ' LEU . 23.2 pttt -40.59 -38.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -105.49 56.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.48 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 3.8 ttp -135.09 143.65 46.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.5 p -100.07 148.14 24.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.384 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -48.94 -23.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.4 -39.53 94.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -79.48 -16.74 55.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 92.6 mt -72.56 -63.86 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.77 -15.92 14.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -85.91 -35.86 20.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 104' ' ' HIS . 1.1 m -80.65 -32.89 36.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -29.7 39.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.11 0.64 15.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.538 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -130.06 -73.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 1.3 p -39.72 -50.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.691 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -72.89 -40.46 65.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -27.33 20.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.0 mt -83.77 -41.69 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.329 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -42.22 -31.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 tttt 78.45 35.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.691 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 33.9 m -101.39 4.37 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 106' ' ' LEU . 6.4 m-30 -116.24 122.87 46.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.472 ' C ' ' O ' ' A' ' 112' ' ' PHE . 29.4 m-80 -34.78 -40.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.31 -92.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.47 81.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.74 143.99 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.526 0.203 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -42.12 144.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.217 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.484 ' CD2' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -66.13 173.91 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.536 ' O ' ' CD2' ' A' ' 7' ' ' TYR . 12.2 tt0 -152.78 -132.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 7' ' ' TYR . 5.5 ptpt -54.54 -6.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.514 ' N ' ' C ' ' A' ' 4' ' ' GLU . . . -46.16 -24.48 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.589 ' O ' ' N ' ' A' ' 45' ' ' LEU . 45.2 m-85 -49.24 -18.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 6' ' ' ALA . 0.5 OUTLIER -115.7 156.33 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.57 ' O ' ' CB ' ' A' ' 10' ' ' LYS . 10.5 mt -94.16 -109.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.588 1.18 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.57 ' CB ' ' O ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER 94.06 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -79.14 130.32 35.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.401 1.063 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' GLN . 14.3 t30 -57.27 -56.08 26.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.64 62.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' OD1' ' CZ ' ' A' ' 44' ' ' ARG . 56.9 t0 -57.16 -17.9 13.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.404 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -102.2 -33.35 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -74.05 -37.14 64.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.6 -27.57 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 mt -89.72 -47.75 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -66.84 -9.52 38.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -61.03 -81.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 22' ' ' GLY . 1.3 mttp -132.81 14.45 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -47.73 176.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.418 1.074 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -115.73 107.82 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.614 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.669 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 82.5 p -95.18 157.43 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.606 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 28.1 m -144.42 124.78 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.369 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.29 138.94 49.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' CG ' ' ND1' ' A' ' 104' ' ' HIS . 6.5 t30 -96.61 -90.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 3.7 mtt180 -113.14 -59.4 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -133.43 16.43 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' O ' ' CG2' ' A' ' 105' ' ' VAL . 0.2 OUTLIER -136.12 138.7 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.95 135.96 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.606 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 18.1 m -119.8 118.34 56.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.669 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 4.5 m-85 -98.89 119.34 37.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.42 1.075 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 4.4 p -143.99 168.84 19.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.416 ' C ' ' OD2' ' A' ' 81' ' ' ASP . 1.7 t -175.96 178.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 108.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 8.4 m-20 -119.3 -52.21 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 5.7 t-20 76.58 -67.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -163.12 46.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.65 131.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.38 -168.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -138.7 6.79 2.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -172.35 151.45 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.609 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.698 ' CZ ' ' CG2' ' A' ' 77' ' ' ILE . 17.9 p90 -101.26 65.64 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' CZ ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -54.63 138.28 41.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.589 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -99.63 134.23 42.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -115.75 98.22 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 28.1 mm -77.22 115.22 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.503 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 5.2 m -126.77 164.34 21.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 48' ' ' SER . 8.8 t -161.81 147.81 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.9 t -94.72 162.08 13.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.28 -0.58 56.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.39 -19.08 22.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.431 ' C ' ' CB ' ' A' ' 91' ' ' LYS . 2.1 mt -50.84 -77.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.93 -115.9 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -173.0 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.328 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.79 -23.1 42.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 p -62.09 -28.23 44.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.547 ' CD2' ' O ' ' A' ' 91' ' ' LYS . 12.9 mt -78.74 -39.97 34.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -72.0 -4.61 29.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 110.211 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.13 -22.89 15.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.13 -27.78 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.237 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 78.0 mt -77.88 -29.46 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.511 ' CG ' ' N ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -84.8 -56.98 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.511 ' N ' ' CG ' ' A' ' 63' ' ' LYS . 2.3 ptm85 -43.74 -44.98 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.511 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -50.31 -35.32 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' LYS . 65.1 mt -75.94 -41.85 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -65.79 -11.17 43.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.463 ' OE2' ' CG2' ' A' ' 95' ' ' THR . 1.8 pt-20 -121.22 -3.41 9.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.695 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 15.9 t-20 -111.34 -42.0 4.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.579 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -86.7 3.99 42.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.34 2.61 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.637 ' CG1' ' O ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -104.06 -52.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.695 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 8.9 p80 -85.26 10.01 13.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.635 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -68.17 -7.44 30.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -86.48 -39.68 16.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.6 ' CE1' ' CB ' ' A' ' 73' ' ' HIS . 3.0 p-80 -99.65 14.17 31.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.613 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.698 ' CG2' ' CZ ' ' A' ' 43' ' ' PHE . 1.3 tp -75.29 158.16 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.631 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.3 143.74 51.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -60.65 134.66 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER 162.24 118.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -33.55 111.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.362 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.549 ' CD1' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -127.04 151.13 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 33' ' ' TYR . 29.8 mt -155.2 129.98 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.481 ' CG2' ' CD1' ' A' ' 66' ' ' ILE . 15.9 m -116.05 109.36 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.503 ' CG2' ' CB ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -113.93 159.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -92.85 126.34 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -42.84 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.403 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 2.5 mt-30 -172.76 -57.09 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.0 Cg_endo -75.12 5.63 3.92 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.554 1.818 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -90.03 22.18 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.547 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 0.0 OUTLIER -73.8 -37.77 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.244 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.18 44.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.86 -162.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.44 ' C ' ' N ' ' A' ' 96' ' ' LEU . 24.3 p -152.49 148.54 27.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.463 ' CG2' ' OE2' ' A' ' 68' ' ' GLU . 1.3 m -44.87 -23.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -77.58 -47.33 19.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 94' ' ' THR . 1.4 mm-40 -55.14 -50.99 67.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 102' ' ' LEU . 3.5 mp -48.05 -37.69 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -70.42 -36.93 74.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -72.45 -14.33 61.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 104' ' ' HIS . 68.2 m -101.17 -49.56 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.494 ' CD1' ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -53.5 -27.92 28.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -0.23 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.562 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.1 t-160 -132.7 -71.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.613 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 9.9 p -39.27 -52.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.594 ' C ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -64.57 -43.39 94.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 104' ' ' HIS . 9.0 tttt -48.57 -26.41 2.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -83.76 -34.44 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 106' ' ' LEU . . . -64.45 -36.55 84.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 1.182 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.65 52.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.427 ' O ' ' CD1' ' A' ' 77' ' ' ILE . 21.2 m -107.94 -8.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.915 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -112.27 106.17 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.5 ' C ' ' O ' ' A' ' 112' ' ' PHE . 42.5 m-20 -32.58 -41.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.579 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 49.2 mttt -147.03 -97.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.36 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER 164.41 92.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.7 mt -46.1 154.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.529 0.204 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.458 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER 176.38 -151.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.612 ' CD2' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 84.43 -161.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 53.7 tt0 80.24 -116.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -64.99 -6.34 8.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.71 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . -83.84 -5.68 59.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.71 ' CD1' ' C ' ' A' ' 6' ' ' ALA . 4.2 m-85 -148.88 21.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -94.33 165.19 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.476 ' CG2' ' CD1' ' A' ' 15' ' ' PHE . 14.0 mm -114.88 113.11 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -43.04 -26.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 88.89 -13.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.8 t30 -122.0 -90.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 12' ' ' ASN . . . -48.92 -52.03 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 3.8 m-20 -56.43 -20.21 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.604 ' CE2' ' OG ' ' A' ' 48' ' ' SER . 1.5 m-85 -98.17 -30.69 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.4 pp0? -77.14 -37.01 54.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -11.47 43.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 14' ' ' ASP . 2.8 mm -91.92 -55.41 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.782 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 7.2 m-85 -61.91 -16.01 47.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -131.34 14.81 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.379 1.05 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.15 169.92 42.34 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.522 1.138 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.89 105.42 11.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.727 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.673 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 79.1 p -86.08 156.59 20.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.412 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 34.7 m -142.18 125.03 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -120.72 137.87 54.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.595 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 1.2 p-10 -87.12 -88.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -122.55 -43.58 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -144.75 36.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.595 ' O ' ' OD1' ' A' ' 27' ' ' ASN . 15.6 t80 -161.64 139.11 8.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.525 ' CG2' ' CD1' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -127.99 144.1 38.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.412 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 15.1 m -131.75 105.04 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.782 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 5.7 m-85 -80.79 124.35 28.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.446 ' O ' ' CB ' ' A' ' 35' ' ' CYS . 40.3 p -141.97 150.05 40.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.463 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 34' ' ' THR . 0.5 OUTLIER 164.31 -178.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 108.273 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.98 -176.01 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 12.5 t-20 -143.92 15.61 1.74 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 3.6 mtpt 167.5 -76.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -178.73 107.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.218 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -91.32 -161.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.533 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 8.7 t0 -168.02 26.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.533 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 6.6 m-70 -160.78 158.49 28.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 49.7 p90 -109.13 118.02 35.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -110.55 78.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.603 ' C ' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -83.38 119.85 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -102.55 -174.24 27.09 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mt -135.77 113.74 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.604 ' OG ' ' CE2' ' A' ' 15' ' ' PHE . 3.2 m -133.01 161.16 35.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.08 -158.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 15.3 t -106.89 174.57 5.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.938 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -1.66 55.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -110.77 -20.49 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.81 -104.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 49.97 98.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 59' ' ' ARG . 2.2 t30 -171.0 -178.87 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.226 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.456 ' O ' ' ND2' ' A' ' 60' ' ' ASN . . . -101.69 -21.83 14.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.51 -32.94 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 3.9 pp -83.85 -44.47 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -67.6 -3.5 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.6 m-20 -100.94 -14.9 17.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.97 -8.1 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.564 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 58.0 mt -107.36 -25.66 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -102.19 -30.99 10.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 9.1 ttt180 -62.07 -70.47 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.73 -32.11 59.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.564 ' CD1' ' O ' ' A' ' 62' ' ' ILE . 1.6 mp -66.28 -41.05 88.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.19 1.76 34.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 68' ' ' GLU . 10.1 tt0 -119.84 -0.86 10.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -98.16 -60.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -68.47 -16.01 63.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -44.43 76.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -77.9 -42.06 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 76' ' ' HIS . 94.6 m-70 -80.01 6.52 11.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -50.48 -45.22 56.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.45 8.95 10.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.9 OUTLIER -109.99 -36.54 5.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.666 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.28 143.92 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.691 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -108.54 171.26 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.495 ' CB ' ' N ' ' A' ' 42' ' ' HIS . . . -59.29 115.09 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.1 tttp 177.2 113.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.22 103.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.57 ' CD1' ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -110.76 159.36 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.357 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.57 ' N ' ' CD1' ' A' ' 82' ' ' ILE . 3.0 mt -160.74 112.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 10.8 m -94.17 118.61 40.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.67 ' CD1' ' CD1' ' A' ' 33' ' ' TYR . 0.6 OUTLIER -119.32 150.68 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.15 129.59 35.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.646 1.216 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.57 -69.13 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.215 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.521 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 170.29 -50.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.22 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.5 Cg_endo -74.94 2.07 7.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.498 ' O ' ' CD1' ' A' ' 62' ' ' ILE . . . -89.63 43.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -90.72 -46.88 7.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -96.63 29.48 2.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.493 ' O ' ' CG2' ' A' ' 94' ' ' THR . 2.7 ptp -63.18 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.508 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 27.9 p -156.8 147.19 21.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -45.53 -20.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.524 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -83.51 -48.68 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' CG ' ' OG1' ' A' ' 94' ' ' THR . 3.8 mm-40 -46.05 -37.26 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' A' ' 94' ' ' THR . 4.7 mp -57.54 -69.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -59.02 -16.19 17.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -80.41 -31.1 37.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 104' ' ' HIS . 11.9 p -91.18 -54.81 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.045 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.425 ' O ' ' CG ' ' A' ' 106' ' ' LEU . 0.4 OUTLIER -47.11 -34.14 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -1.78 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.255 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.554 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.9 t-160 -136.91 -74.29 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.4 p -42.04 -41.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.658 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -76.05 -41.08 51.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -52.35 -31.54 33.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.5 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 24.7 mt -82.15 -42.73 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.488 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -37.74 -31.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 32.2 tttt 86.79 15.23 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.22 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 7.2 m -91.72 29.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.421 ' CE2' ' CD2' ' A' ' 106' ' ' LEU . 0.1 OUTLIER -136.88 123.05 20.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.981 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 114' ' ' LYS . 10.9 p30 -80.38 -48.62 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.494 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -109.56 -4.54 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.511 ' CG ' ' O ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER 37.32 46.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -51.94 156.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.0 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.561 0.22 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 1.2 tt -148.08 -131.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.612 ' CD2' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 81.59 -161.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.423 ' CB ' ' O ' ' A' ' 3' ' ' LEU . 29.3 tt0 80.36 -116.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -63.66 -6.67 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.676 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . -85.49 -7.6 58.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.676 ' CD1' ' C ' ' A' ' 6' ' ' ALA . 4.1 m-85 -147.74 16.0 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.38 124.57 51.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.1 mt -81.6 98.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -112.81 5.89 17.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.26 149.6 23.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLN . 71.9 m-20 -69.65 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -47.33 -48.15 25.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.93 -32.19 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -85.97 -34.79 20.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.4 OUTLIER -72.33 -47.8 46.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -45.15 -25.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 ' O ' ' CA ' ' A' ' 22' ' ' GLY . 4.8 mm -87.07 -49.29 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.752 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 5.2 m-85 -71.85 -2.33 17.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 111.056 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -103.91 -86.6 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -80.79 -25.22 38.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.42 ' CA ' ' O ' ' A' ' 18' ' ' ILE . . . -59.45 167.23 8.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.56 1.163 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' THR . 8.3 t60 -130.89 108.05 9.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.583 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 52.4 p -93.02 155.98 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.42 135.14 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -121.95 138.3 54.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 4.6 p-10 -90.0 -82.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.401 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 5.9 mmt180 -123.1 -52.12 1.87 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -131.43 6.01 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' CD2' ' CB ' ' A' ' 101' ' ' SER . 0.2 OUTLIER -113.98 153.02 30.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.918 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -146.84 110.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 15.9 m -104.2 120.48 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.752 ' CD2' ' CD1' ' A' ' 19' ' ' TYR . 8.9 m-85 -98.5 110.55 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 23' ' ' HIS . 73.1 p -129.67 170.82 13.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.79 90.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.339 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -172.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.43 80.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 39' ' ' GLU . 0.8 OUTLIER 176.85 -48.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.462 ' O ' ' O ' ' A' ' 38' ' ' LYS . 5.8 pt-20 40.17 95.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.634 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -89.2 -150.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.72 7.08 6.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.496 ' CB ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -162.15 119.83 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.591 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.607 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 54.8 p90 -64.99 113.69 4.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 80' ' ' LYS . 10.8 mtm180 -72.53 95.03 1.75 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.15 97.28 6.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.25 144.44 15.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.1 mt -132.0 133.53 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.759 . . . . 0.0 109.21 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.52 ' CB ' ' CG2' ' A' ' 85' ' ' ILE . 3.1 m -138.33 163.43 31.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.401 ' CG2' ' C ' ' A' ' 48' ' ' SER . 2.2 t -148.55 173.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.8 t -114.37 161.77 17.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -96.29 1.43 52.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -98.66 -14.47 19.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER -35.69 -68.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.38 -37.95 0.25 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -172.36 170.65 4.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.32 71.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.218 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 p -67.06 -26.33 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.7 mt -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -71.14 -7.89 49.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -95.48 -33.51 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.244 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -69.25 -41.23 77.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.0 mt -69.12 -28.29 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.231 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 66' ' ' ILE . 20.0 tttt -86.05 -63.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 10.7 ptp180 -38.27 -44.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.525 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -69.41 -45.28 69.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -58.06 -27.01 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.58 -1.22 57.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.06 -35.83 8.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 71' ' ' LYS . 5.1 t-20 -75.27 -64.95 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.604 ' CZ ' ' CD1' ' A' ' 82' ' ' ILE . 1.8 m-85 -45.93 -21.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER -59.11 -49.17 78.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.1 m -80.91 -40.79 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' HIS . 80.6 m-70 -73.47 -2.54 22.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' PHE . 1.5 ttpm? -47.29 -25.45 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.52 -23.76 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 115' ' ' LYS . 5.2 m170 -72.41 -33.15 66.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.575 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.415 ' CG2' ' CB ' ' A' ' 43' ' ' PHE . 1.5 mp -72.43 154.02 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.712 ' CD1' ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -138.89 160.28 40.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -48.83 145.8 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.592 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 26.9 mttt 155.79 -107.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.441 ' OD2' ' CZ ' ' A' ' 44' ' ' ARG . 0.4 OUTLIER -170.66 95.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.604 ' CD1' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -112.99 130.96 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.569 ' O ' ' N ' ' A' ' 33' ' ' TYR . 4.1 mt -151.5 110.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.536 ' C ' ' CD1' ' A' ' 85' ' ' ILE . 10.1 m -100.14 124.27 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.656 ' CD1' ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -114.03 153.85 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -89.75 96.89 10.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -32.3 -69.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.52 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.8 OUTLIER 168.02 -50.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -74.96 6.88 3.11 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.542 1.811 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.35 3.28 40.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.71 -31.3 64.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.59 -16.06 46.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.31 177.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.447 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 64.4 p -123.09 166.79 14.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -64.59 -8.35 13.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.49 -44.87 6.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 100' ' ' ASN . 1.5 mm-40 -49.05 -42.05 37.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.447 ' CD1' ' O ' ' A' ' 94' ' ' THR . 1.1 mp -39.97 -60.15 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -54.18 -36.56 63.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 97' ' ' GLN . 2.0 m-20 -68.58 -33.6 74.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.55 ' CB ' ' CD2' ' A' ' 30' ' ' PHE . 1.1 m -71.62 -53.05 14.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.21 -20.22 6.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -2.68 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.473 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.4 t-160 -135.72 -74.98 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.532 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.513 ' CG1' ' N ' ' A' ' 106' ' ' LEU . 4.1 p -37.95 -52.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.608 ' C ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -69.36 -44.33 71.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -51.17 -22.05 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.5 mt -90.91 -44.51 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -52.07 -41.23 62.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 29.7 tttt 81.07 32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.7 m -90.34 20.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.515 ' CD1' ' CD1' ' A' ' 106' ' ' LEU . 2.8 p90 -137.83 125.23 21.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.529 ' OD1' ' N ' ' A' ' 114' ' ' LYS . 13.4 p30 -73.68 -48.07 35.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 1.9 tttt 163.61 -91.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 76' ' ' HIS . 0.0 OUTLIER 32.02 44.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -48.01 150.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.319 179.926 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' LEU . 16.4 mtp . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.472 0.177 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 60.2 mt -43.13 166.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.187 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -47.39 170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.702 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 2.3 tt0 -121.88 -160.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.391 1.057 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.652 ' O ' ' N ' ' A' ' 8' ' ' ARG . 8.6 ptmt -69.77 -0.59 7.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.62 ' CB ' ' CG ' ' A' ' 42' ' ' HIS . . . -40.79 -29.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.702 ' CE2' ' O ' ' A' ' 4' ' ' GLU . 0.9 OUTLIER -76.52 13.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.652 ' N ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -139.19 86.28 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.5 mt -70.06 105.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -103.77 5.04 35.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -168.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' PHE . 33.5 m-20 -111.47 -44.02 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -48.07 -42.99 30.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -57.64 -30.7 65.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -86.55 -41.14 14.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -62.69 -39.47 94.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.97 -26.21 64.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 110.234 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.98 -59.25 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -59.87 -14.28 14.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.02 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -123.36 3.86 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.14 164.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' THR . 2.5 t-160 -117.27 99.55 7.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 0.763 . . . . 0.0 109.598 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.7 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 92.5 p -88.67 154.82 20.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.611 ' CG2' ' CG2' ' A' ' 32' ' ' VAL . 17.9 m -131.73 -155.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 25' ' ' VAL . . . 167.81 131.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.734 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 0.9 OUTLIER -100.05 -59.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.077 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.734 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 32.9 mtm-85 -130.03 -74.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.473 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 3.4 pm0 -122.38 -4.52 8.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' O ' ' CG2' ' A' ' 105' ' ' VAL . 0.1 OUTLIER -105.18 134.62 47.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -125.6 117.85 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.611 ' CG2' ' CG2' ' A' ' 25' ' ' VAL . 19.0 m -99.24 119.08 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.743 ' CD1' ' CD1' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -95.87 117.69 31.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' HIS . 33.9 p -123.12 167.7 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -116.28 168.74 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 108.28 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -74.75 -64.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 72.96 -170.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 -52.97 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.65 72.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -80.39 -171.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.627 1.204 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -136.74 7.97 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.62 ' CG ' ' CB ' ' A' ' 6' ' ' ALA . 0.4 OUTLIER -161.39 159.95 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.589 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CE2' ' CB ' ' A' ' 7' ' ' TYR . 37.0 p90 -109.17 -175.06 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' O ' ' O ' ' A' ' 82' ' ' ILE . 2.0 mtt-85 -135.09 104.36 5.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.706 ' CD2' ' CE1' ' A' ' 70' ' ' PHE . 12.0 mt -91.31 101.29 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -124.38 148.04 16.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.84 136.09 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 m -135.79 147.39 48.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 50' ' ' SER . 87.6 t -134.91 167.89 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.425 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 29.3 t -95.72 163.13 13.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.939 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -101.19 1.27 38.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -104.53 -19.62 13.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -37.57 -66.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 164.15 -109.32 0.37 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.496 ' O ' ' CD1' ' A' ' 58' ' ' LEU . 9.0 t30 -88.03 -158.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.72 -21.67 14.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.36 -36.38 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -76.71 -21.51 55.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.509 ' N ' ' CD1' ' A' ' 58' ' ' LEU . 31.2 ttt180 -90.6 -8.98 48.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.265 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -92.23 -30.73 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -76.21 -35.96 58.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.501 ' O ' ' CD1' ' A' ' 66' ' ' ILE . 13.8 mt -68.48 -34.63 66.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -87.99 -43.06 12.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 6.3 ttt85 -46.84 -61.85 1.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' ASN . . . -51.18 -50.29 59.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.557 ' CG2' ' CE2' ' A' ' 70' ' ' PHE . 95.2 mt -51.55 -52.68 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -8.24 31.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 15.4 tt0 -109.8 -3.68 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.662 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 1.1 t30 -118.43 -9.48 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.706 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -97.52 -10.72 24.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.74 2.73 30.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 73' ' ' HIS . 8.5 m -97.08 -55.49 6.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.662 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -101.49 18.38 20.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.582 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -49.92 -22.36 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.6 m -89.12 -28.4 20.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.652 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.1 OUTLIER -77.23 -19.52 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.413 ' CD1' ' N ' ' A' ' 77' ' ' ILE . 1.2 mp -81.07 133.59 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -104.2 -179.44 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -52.13 -176.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 6.4 mttm 91.64 119.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.71 154.84 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.526 ' O ' ' CG1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -159.06 143.2 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.526 ' CG1' ' O ' ' A' ' 82' ' ' ILE . 20.7 mt -157.38 104.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.555 ' CG1' ' CG1' ' A' ' 32' ' ' VAL . 27.6 m -85.43 89.5 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.743 ' CD1' ' CD1' ' A' ' 33' ' ' TYR . 0.9 OUTLIER -82.66 158.35 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -96.05 104.34 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.519 ' C ' ' CG ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -35.16 -84.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.519 ' CG ' ' C ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -164.41 -56.77 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.0 9.52 2.0 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.5 12.73 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -84.42 -37.94 20.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.07 -2.33 30.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.473 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 0.0 OUTLIER -68.39 -170.04 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.427 ' C ' ' N ' ' A' ' 96' ' ' LEU . 6.7 p -154.84 156.69 36.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.4 m -47.71 -20.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.6 tm? -78.95 -48.89 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' ASN . 39.0 mt-30 -64.73 -50.43 66.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 10.6 mt -43.77 -28.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 97' ' ' GLN . 70.6 mt-30 -86.73 -40.36 15.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLN . 29.9 m-20 -68.86 -19.13 64.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' HIS . 55.2 m -71.46 -56.33 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.8 -22.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -5.37 24.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.514 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.0 OUTLIER -140.04 -71.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.672 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 30' ' ' PHE . 9.9 p -36.15 -52.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.661 ' C ' ' CD1' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -65.39 -43.87 89.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.511 ' N ' ' O ' ' A' ' 104' ' ' HIS . 24.4 mttt -49.27 -21.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.431 ' N ' ' C ' ' A' ' 106' ' ' LEU . 6.7 mt -90.46 -38.81 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.446 ' C ' ' CG ' ' A' ' 110' ' ' LYS . . . -58.98 -40.63 85.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.446 ' CG ' ' C ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 81.2 38.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.1 m -104.39 23.5 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.519 ' CD2' ' O ' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -145.31 121.15 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.511 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 73.2 m-80 -39.54 -42.79 1.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.594 1.184 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.519 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 1.3 tttp 177.87 -61.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER 162.59 97.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -51.08 141.52 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.2 mtp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.5 0.191 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.55 -173.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 ' CD1' ' CE2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -67.1 -164.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -124.61 -117.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.35 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -69.67 -4.93 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 71.68 19.59 4.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.841 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 41.0 m-85 59.59 19.3 7.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -78.5 111.74 14.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.6 mt -89.46 101.81 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.6 4.57 35.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -113.96 156.54 23.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' PHE . 1.8 t-20 -83.58 -47.47 11.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 17' ' ' ARG . . . -47.51 -45.41 26.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -54.49 -32.47 57.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.269 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.2 OUTLIER -87.06 -39.32 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -39.1 81.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -55.0 -26.46 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.249 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 18' ' ' ILE . 1.3 mm -79.58 -58.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.733 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 5.7 m-85 -58.4 -14.82 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.38 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 14.71 5.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.31 176.01 5.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' THR . 2.2 t-160 -129.79 103.73 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.489 0.758 . . . . 0.0 109.648 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.9 p -95.13 137.49 34.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -114.81 128.7 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.19 138.7 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.495 ' OD1' ' CE1' ' A' ' 104' ' ' HIS . 41.2 t30 -119.15 -142.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 27' ' ' ASN . 40.2 mmt180 -33.54 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.446 ' OE1' ' C ' ' A' ' 29' ' ' GLN . 0.3 OUTLIER -139.55 30.09 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -127.42 147.94 50.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -136.99 109.24 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.459 ' CG2' ' O ' ' A' ' 105' ' ' VAL . 26.9 m -106.54 126.7 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.733 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 3.8 m-85 -93.57 134.5 35.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 33' ' ' TYR . 29.9 p -157.0 147.4 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 1.9 p -107.41 155.61 19.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.56 91.17 3.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 165.72 171.52 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.569 1.168 . . . . 0.0 109.372 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.88 101.21 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.339 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -115.87 -53.48 2.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.251 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 tt -139.47 175.25 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' C ' ' CB ' ' A' ' 79' ' ' ALA . 43.3 m-20 -119.27 15.07 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -138.98 117.52 12.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 109.624 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.841 ' CZ ' ' CZ ' ' A' ' 7' ' ' TYR . 39.7 p90 -64.08 96.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -71.37 128.21 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.546 ' CD2' ' CD1' ' A' ' 82' ' ' ILE . 13.9 mt -102.08 128.82 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.41 -54.47 0.48 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 45.1 mt 66.78 129.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 0.787 . . . . 0.0 109.291 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.57 ' O ' ' CG2' ' A' ' 49' ' ' VAL . 2.6 m -148.74 160.89 42.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' A' ' 48' ' ' SER . 3.0 t -167.08 165.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.521 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -92.19 166.35 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -92.76 -13.36 29.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.92 -14.47 14.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.674 ' C ' ' CD1' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -114.49 -12.44 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.513 ' O ' ' CG ' ' A' ' 59' ' ' ARG . . . -109.56 36.46 4.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.045 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.659 ' O ' ' N ' ' A' ' 59' ' ' ARG . 41.0 t30 -41.86 167.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.99 -32.65 54.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -33.3 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.5 mt -75.39 -45.34 39.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.659 ' N ' ' O ' ' A' ' 55' ' ' ASN . 0.1 OUTLIER -67.44 -3.1 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -103.67 -17.82 14.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -106.63 -18.87 13.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 30.3 mt -94.12 -37.34 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -76.2 -41.78 48.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.524 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 9.1 ptm180 -64.05 -44.36 92.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.524 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -68.85 -9.52 51.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.0 mt -99.95 -29.85 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.209 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.3 -0.97 56.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.437 ' OE2' ' NE2' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -117.81 -0.85 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.616 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 2.2 t-20 -116.47 1.58 12.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -110.07 -39.49 5.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -74.14 -4.73 37.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.7 m -113.23 -43.66 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 43.5 m-70 -71.32 -17.56 62.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -58.87 -20.15 48.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.43 33.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.023 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.616 ' NE2' ' CE1' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -178.88 -28.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.621 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.499 ' N ' ' CD2' ' A' ' 76' ' ' HIS . 0.3 OUTLIER -60.18 137.89 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.34 174.49 5.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.614 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -53.14 -167.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.614 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 37.3 mttt 96.28 118.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 1.4 p30 -39.66 126.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.546 ' CD1' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -137.71 139.04 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.483 ' CG1' ' C ' ' A' ' 82' ' ' ILE . 1.1 mt -153.53 119.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 11.4 m -99.34 115.07 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.497 ' CG2' ' CB ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -120.31 150.85 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.494 ' O ' ' C ' ' A' ' 87' ' ' ARG . . . -82.07 109.2 16.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' A' ' 86' ' ' ALA . 16.2 tpt85 -31.81 -70.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.567 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 164.31 -47.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.02 7.26 2.95 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.532 ' C ' ' CD2' ' A' ' 53' ' ' LEU . . . -87.42 19.8 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' N ' ' CD2' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -88.34 3.85 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -147.78 46.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.477 ' SD ' ' O ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -127.37 -172.62 2.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' GLN . 8.6 p -134.07 150.51 51.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -43.74 -24.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.394 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.8 tm? -65.9 -43.22 88.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.217 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' THR . 34.2 mt-30 -69.84 -24.75 63.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 61.9 mt -72.65 -53.83 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.437 ' NE2' ' OE2' ' A' ' 68' ' ' GLU . 1.7 mm-40 -58.87 -35.28 72.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -68.51 -22.77 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 104' ' ' HIS . 21.6 p -90.72 -55.64 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.526 ' O ' ' CD2' ' A' ' 106' ' ' LEU . 2.0 mt -48.58 -34.32 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -6.6 22.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.35 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.685 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -134.7 -68.7 0.53 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.546 ' N ' ' O ' ' A' ' 101' ' ' SER . 0.8 OUTLIER -42.07 -39.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.737 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -81.54 -37.44 27.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' HIS . 6.3 tmtt? -55.32 -34.99 64.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.608 ' CD1' ' CD2' ' A' ' 104' ' ' HIS . 37.4 mt -79.91 -34.18 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.534 ' O ' ' CB ' ' A' ' 110' ' ' LYS . . . -39.8 -29.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 4.1 tptt 90.37 11.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.737 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 15.1 m -91.19 30.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.595 1.184 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.616 ' CE1' ' NE2' ' A' ' 76' ' ' HIS . 1.8 m-85 -130.34 122.87 28.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.557 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 4.1 p30 -34.13 -46.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.229 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.487 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 2.4 mtmt -166.46 -67.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.385 1.053 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -168.84 85.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 117' ' ' LYS . 1.8 mp -40.97 160.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 116' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.539 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.459 0.171 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.24 170.44 13.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' CD1' HD11 ' A' ' 83' ' ' ILE . 37.4 mt -135.62 114.08 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -131.13 6.3 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -174.83 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.3 p30 -95.95 -48.18 5.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.13 -38.51 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.441 ' CB ' HG23 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -68.54 -25.41 64.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.41 -28.14 17.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -80.34 -33.78 37.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.25 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -42.55 -73.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -47.24 -55.24 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 3.2 m-85 -57.53 -13.53 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.19 -79.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 -3.38 10.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -48.73 158.39 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' THR . 14.1 t60 -104.55 100.93 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.55 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.561 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . 35.1 p -93.15 154.1 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.73 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 13.3 m -128.89 -142.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 160.38 128.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.69 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 9.6 p30 -87.78 -87.87 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.69 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 10.5 ptp180 -122.65 -46.11 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.39 13.15 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.702 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -135.61 137.39 41.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -126.75 146.17 33.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.1 HG12 HG12 ' A' ' 84' ' ' VAL . 15.3 m -127.77 128.19 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 24' ' ' SER . 6.3 m-85 -106.89 130.12 54.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 29.7 p -140.84 165.2 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.406 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' HB3' ' CG ' ' A' ' 81' ' ' ASP . 12.9 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.456 ' HB2' ' CA ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CG ' HG22 ' A' ' 77' ' ' ILE . 4.4 p90 -67.54 88.82 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' HB3' ' CG1' ' A' ' 9' ' ' ILE . 2.6 mtm180 -51.7 93.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.726 HD21 ' CD2' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -77.4 137.06 38.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.433 ' H ' HD23 ' A' ' 45' ' ' LEU . . . -143.85 161.61 27.79 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.455 ' CG2' ' HG2' ' A' ' 63' ' ' LYS . 5.3 mt -136.6 127.57 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 1.013 ' CB ' HG23 ' A' ' 85' ' ' ILE . 9.3 m -143.16 148.02 35.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.852 HG22 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -137.22 179.15 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 49' ' ' VAL . 4.8 t -100.26 170.53 8.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -104.05 1.97 31.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 53' ' ' LEU . 13.5 mttt -110.57 -15.21 13.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.008 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -35.95 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.922 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . 172.86 -110.93 0.36 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -100.89 179.16 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . -67.53 -24.31 65.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.71 -26.29 30.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.008 HD13 ' HB2' ' A' ' 91' ' ' LYS . 97.8 mt -81.94 -44.27 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.773 ' HB2' HG11 ' A' ' 49' ' ' VAL . 2.7 ptm180 -71.98 -5.03 32.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -95.25 -56.67 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.484 ' C ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -47.71 -46.16 29.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.008 ' CD1' HD21 ' A' ' 53' ' ' LEU . 4.9 mt -62.01 -24.27 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' ASN . 64.1 mttt -89.76 -58.04 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 67' ' ' ARG . 2.5 mtp180 -49.71 -67.87 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 95' ' ' THR . . . -42.95 -28.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.871 HD13 ' O ' ' A' ' 62' ' ' ILE . 1.0 OUTLIER -83.45 -41.09 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -70.42 -9.8 57.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.66 -26.95 14.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.505 ' O ' HG22 ' A' ' 72' ' ' VAL . 1.7 t-20 -82.61 -68.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 1.06 ' CZ ' HD11 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -40.53 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -60.77 -47.9 84.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 76' ' ' HIS . 3.1 m -77.75 -41.99 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.567 ' HA ' ' CG ' ' A' ' 76' ' ' HIS . 59.2 m-70 -76.94 2.02 15.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -53.87 -41.08 67.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.386 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.18 12.23 27.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -113.43 -19.01 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.647 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.632 HG22 ' CG ' ' A' ' 43' ' ' PHE . 1.7 mp -89.62 142.87 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.915 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -113.47 161.39 17.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.558 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -60.98 129.65 42.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.778 ' O ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER 159.64 49.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.263 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.778 ' O ' ' O ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER 34.8 111.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.06 HD11 ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -131.47 131.5 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.548 HG22 ' CD1' ' A' ' 85' ' ' ILE . 12.6 mt -150.3 158.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.1 HG12 HG12 ' A' ' 32' ' ' VAL . 14.9 m -136.52 115.03 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.013 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -107.62 146.53 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.918 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -91.6 117.42 29.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.502 ' HG2' HG13 ' A' ' 31' ' ' VAL . 21.3 mmm-85 -49.58 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.4 OUTLIER 171.47 -52.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.6 Cg_endo -74.93 2.39 6.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.648 ' HB1' ' CE ' ' A' ' 93' ' ' MET . . . -75.69 -2.07 27.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 1.008 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -66.56 -36.65 83.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.94 -23.71 66.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.648 ' CE ' ' HB1' ' A' ' 90' ' ' ALA . 5.6 mtm -66.64 166.99 11.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.903 ' C ' HD12 ' A' ' 98' ' ' ILE . 18.1 p -133.99 -178.58 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.697 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 1.0 OUTLIER -60.94 -8.25 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.34 -43.38 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 100' ' ' ASN . 30.9 mt-30 -79.58 -48.21 14.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.903 HD12 ' C ' ' A' ' 94' ' ' THR . 9.7 mt -45.12 -40.19 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.478 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 74.6 mt-30 -72.29 -35.74 68.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' GLN . 8.1 m-20 -72.39 -6.12 41.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.7 m -78.08 -47.88 17.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.778 HD21 HG13 ' A' ' 66' ' ' ILE . 1.5 mp -62.41 -17.1 58.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -2.55 14.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.466 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.9 OUTLIER -134.99 -77.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.697 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.709 HG22 HG22 ' A' ' 32' ' ' VAL . 4.2 p -39.96 -53.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.904 HD13 ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -64.07 -43.07 96.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.1 OUTLIER -58.86 -16.7 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.476 HG22 HG11 ' A' ' 25' ' ' VAL . 2.0 mt -96.31 -33.29 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.893 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -51.5 -36.92 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 87.8 23.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.904 ' CG2' HD13 ' A' ' 106' ' ' LEU . 21.9 m -90.3 23.18 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.726 ' CE2' HD11 ' A' ' 106' ' ' LEU . 1.4 m-85 -126.72 124.41 39.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.53 ' CG ' HD12 ' A' ' 78' ' ' LEU . 68.2 m-80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HD1' ' CZ ' ' A' ' 43' ' ' PHE . 46.7 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.467 0.175 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.35 -169.01 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.233 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.696 HG21 ' CD1' ' A' ' 15' ' ' PHE . 1.3 mm -100.25 127.06 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.54 6.34 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 6.1 mttm -148.89 116.64 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' PHE . 8.8 p30 -50.92 -45.55 60.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.36 -56.12 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.555 ' OD2' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -49.77 -37.19 28.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.696 ' CD1' HG21 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -75.23 -42.94 54.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.92 -40.17 96.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -50.3 -42.93 53.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 81' ' ' ASP . 1.7 mt -60.11 -65.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -53.69 -16.43 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -73.74 -87.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -98.86 -20.75 16.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 18' ' ' ILE . . . -36.54 157.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -121.24 118.51 29.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.549 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.628 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 62.2 p -97.8 155.92 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.71 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 16.7 m -123.41 -144.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 160.81 131.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.586 ' CG ' ' HB ' ' A' ' 105' ' ' VAL . 3.8 p30 -89.06 -95.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.557 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -121.38 -40.39 2.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.753 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.77 23.99 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.631 ' CE2' HD11 ' A' ' 66' ' ' ILE . 2.5 t80 -147.41 156.97 43.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.538 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -146.7 133.83 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 105' ' ' VAL . 16.6 m -120.73 125.06 73.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.628 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 3.3 m-85 -95.35 122.34 37.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.789 HG21 ' HB1' ' A' ' 109' ' ' ALA . 43.0 p -140.05 154.94 47.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.407 ' HB3' ' OD2' ' A' ' 81' ' ' ASP . 8.3 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.675 ' CG ' ' CG2' ' A' ' 77' ' ' ILE . 1.6 p90 -112.62 84.81 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -34.85 125.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.819 HD22 ' CE1' ' A' ' 70' ' ' PHE . 8.1 mt -123.27 89.24 3.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.67 ' C ' HD12 ' A' ' 47' ' ' ILE . . . -109.77 169.55 13.75 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.499 1.124 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.67 HD12 ' C ' ' A' ' 46' ' ' GLY . 1.8 mp -119.23 119.85 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 109.212 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.909 ' CB ' HG23 ' A' ' 85' ' ' ILE . 59.7 m -122.79 129.71 52.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 53' ' ' LEU . 87.7 t -132.03 158.1 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.3 t -94.32 165.35 12.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -100.78 1.6 40.41 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.09 -15.3 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -40.25 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.728 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . 172.05 -109.95 0.33 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -101.99 -179.36 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 109.247 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -72.66 -23.46 60.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.454 HG12 HD22 ' A' ' 55' ' ' ASN . 2.5 p -65.99 -21.98 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.893 HD13 ' HB2' ' A' ' 91' ' ' LYS . 44.7 mt -84.45 -39.7 18.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -75.23 -8.98 58.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.1 m-20 -92.66 -41.51 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.838 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -72.13 -32.8 67.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.883 HD11 ' O ' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -74.12 -41.39 51.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -16.12 45.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 11.3 ttt180 -68.68 -48.33 64.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.836 ' HB3' ' CG2' ' A' ' 98' ' ' ILE . . . -79.62 -9.74 59.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.683 HG13 HD21 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -93.7 -26.1 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -9.81 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -109.1 -9.76 15.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.55 ' CG ' HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -89.75 -36.46 15.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.249 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.819 ' CE1' HD22 ' A' ' 45' ' ' LEU . 10.5 m-85 -66.8 -46.74 74.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -62.71 -52.6 62.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 73' ' ' HIS . 8.6 p -60.22 -52.32 62.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.408 1.067 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.63 ' O ' HD13 ' A' ' 77' ' ' ILE . 68.6 m80 -84.44 17.22 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.581 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' PHE . 5.2 ttpt -60.31 -47.23 86.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.4 m -83.09 -9.82 59.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.414 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 0.6 OUTLIER -90.72 -26.82 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.585 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.675 ' CG2' ' CG ' ' A' ' 43' ' ' PHE . 1.6 mp -83.07 145.56 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -120.82 154.44 35.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -39.16 126.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.774 ' O ' HG22 ' A' ' 82' ' ' ILE . 2.0 mttp 162.26 110.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.492 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -45.84 124.44 5.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.856 HD13 ' C ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -141.51 159.41 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.684 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 18.6 mt -157.0 115.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.632 HG13 HD11 ' A' ' 82' ' ' ILE . 6.3 m -90.38 114.34 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.605 1.191 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.909 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -114.59 143.51 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.697 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -94.98 119.66 33.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.494 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -52.87 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.355 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 1.3 mt-30 -85.27 -58.2 0.35 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.0 7.78 2.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.883 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -82.99 7.71 14.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.893 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -83.57 -13.47 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -90.82 -6.01 54.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.45 ' HE3' ' CG1' ' A' ' 98' ' ' ILE . 6.8 mtm -72.09 -176.2 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.787 ' C ' HD12 ' A' ' 98' ' ' ILE . 14.4 p -154.38 160.05 41.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.68 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.3 m -44.63 -22.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.451 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.1 tm? -76.87 -45.42 28.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 94' ' ' THR . 26.1 mt-30 -82.27 -43.35 17.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.838 HD13 ' O ' ' A' ' 61' ' ' LYS . 10.1 mt -49.04 -37.16 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.485 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 31.6 mt-30 -74.89 -38.63 61.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.597 1.186 . . . . 0.0 110.328 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -75.61 -13.84 60.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 97' ' ' GLN . 30.7 m -73.17 -49.48 27.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.683 HD21 HG13 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -62.81 -16.35 57.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.04 -3.14 21.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.504 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -133.9 -75.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.575 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 32' ' ' VAL . 4.2 p -41.13 -51.04 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.732 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -68.18 -40.72 82.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -58.42 -21.34 50.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.504 HD11 ' CE1' ' A' ' 104' ' ' HIS . 2.9 mt -90.8 -38.51 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.789 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -42.18 -33.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 7.8 tptm 88.56 17.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.732 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 31.1 m -92.4 27.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.678 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -133.91 122.88 23.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.601 ' N ' HD11 ' A' ' 78' ' ' LEU . 17.2 m-80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 2.1 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.435 0.16 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.53 168.68 19.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.731 HG22 ' H ' ' A' ' 10' ' ' LYS . 1.2 mm -99.73 -167.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.731 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 174.52 -34.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.51 166.93 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.385 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' PHE . 5.2 m-80 -78.89 -50.1 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.62 -58.54 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB2' ' CG2' ' A' ' 9' ' ' ILE . 51.5 m-20 -45.88 -39.92 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.615 1.197 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CE1' HD13 ' A' ' 83' ' ' ILE . 1.2 m-85 -77.28 -40.96 42.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 20' ' ' LYS . 1.1 mt-30 -65.6 -35.53 81.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 20' ' ' LYS . 10.9 tpp180 -41.68 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -46.14 -56.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 5.0 m-85 -55.37 -15.86 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.58 1.175 . . . . 0.0 111.009 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -72.96 -80.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 2.56 10.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -51.61 170.62 0.36 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.143 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 25' ' ' VAL . 10.9 t60 -108.49 100.8 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 109.554 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 5.1 p -89.61 144.47 25.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.564 HG13 ' CD2' ' A' ' 23' ' ' HIS . 30.8 m -138.18 139.26 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -131.48 123.54 28.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.67 ' ND2' ' CB ' ' A' ' 101' ' ' SER . 1.4 p30 -74.2 -96.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -123.25 -37.31 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.649 ' HB3' ' HB2' ' A' ' 90' ' ' ALA . 3.1 mt-30 -144.11 50.13 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 84' ' ' VAL . 1.4 t80 177.89 143.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.685 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -133.85 130.87 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.424 1.077 . . . . 0.0 109.339 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.646 HG22 HG22 ' A' ' 105' ' ' VAL . 34.0 m -120.26 138.41 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CD2' ' CD1' ' A' ' 19' ' ' TYR . 5.8 m-85 -109.28 133.13 53.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.684 HG21 ' HB1' ' A' ' 109' ' ' ALA . 70.5 p -144.86 156.77 44.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 108.363 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 1.7 m-70 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.728 ' CD2' ' CG2' ' A' ' 77' ' ' ILE . 45.8 p90 -78.32 108.7 11.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 4.4 mtm180 -79.8 114.18 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.913 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -89.17 121.47 31.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.497 ' C ' HD13 ' A' ' 47' ' ' ILE . . . -129.67 132.84 7.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.829 ' N ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -104.76 134.02 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.929 ' CB ' HG23 ' A' ' 85' ' ' ILE . 66.1 m -144.37 134.72 24.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.573 HG11 ' CD ' ' A' ' 59' ' ' ARG . 42.3 t -139.95 161.9 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.501 ' HB3' HD12 ' A' ' 53' ' ' LEU . 26.9 t -94.07 163.33 13.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.79 0.83 33.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.597 1.186 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -103.88 -17.68 14.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.693 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.36 -68.74 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.919 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 168.16 -113.92 0.55 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.563 ' O ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -95.27 -158.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . . . -95.95 -19.68 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 p -63.81 -37.19 79.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.953 HD22 ' HB2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -82.7 -22.28 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.619 ' N ' HD12 ' A' ' 58' ' ' LEU . 30.3 mtm180 -88.8 -12.63 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.9 -38.62 15.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -71.29 -37.74 71.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.866 HG21 ' HB2' ' A' ' 86' ' ' ALA . 71.7 mt -69.61 -26.6 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' ILE . 0.3 OUTLIER -90.21 -63.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.535 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 6.4 ptm180 -38.26 -44.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -63.45 -47.76 80.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.563 HD13 ' CG2' ' A' ' 84' ' ' VAL . 47.2 mt -50.07 -47.19 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -85.55 13.0 7.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.1 -28.64 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.621 ' O ' HG22 ' A' ' 72' ' ' VAL . 2.6 m-20 -99.44 -55.15 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.913 ' CE2' HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -31.27 -39.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ASN . 4.8 tptt -57.52 -66.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 69' ' ' ASN . 16.2 m -54.92 -37.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.958 ' CE1' HD21 ' A' ' 106' ' ' LEU . 46.9 m-70 -71.05 -19.89 62.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 109.54 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -66.33 -18.05 65.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.4 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.31 36.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.689 ' CE1' ' CD2' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -175.35 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.728 ' CG2' ' CD2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -44.9 141.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.722 ' H ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.19 178.4 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.547 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -66.92 130.35 42.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 159.76 112.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 34' ' ' THR . 47.0 t0 -47.78 121.07 3.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.514 HD13 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -127.9 156.35 39.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.528 HD13 ' CE1' ' A' ' 15' ' ' PHE . 30.7 mt -155.47 126.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 m -106.99 125.13 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.929 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -123.0 146.59 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.866 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -81.74 113.11 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.482 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 6.5 mmt180 -34.61 -91.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -174.78 -57.7 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.369 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.3 Cg_endo -74.98 4.68 4.51 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.007 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -87.49 21.34 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.953 ' HB2' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -77.62 -18.71 56.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.79 23.24 14.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . 1.007 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.36 -165.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 93' ' ' MET . 1.6 p -154.88 145.31 22.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.71 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.3 m -43.63 -24.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.75 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -73.72 -49.17 26.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 94' ' ' THR . 2.7 mm-40 -66.35 -37.94 86.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 95' ' ' THR . 12.7 mt -55.88 -42.26 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 95' ' ' THR . 0.9 OUTLIER -65.76 -31.87 73.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.232 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.43 -34.14 60.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.67 ' CB ' ' ND2' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -75.18 -51.71 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.949 HD23 HD22 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -54.0 -34.16 59.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.81 -1.48 9.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.95 -73.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.646 HG22 HG22 ' A' ' 32' ' ' VAL . 2.7 p -46.92 -52.02 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.958 HD21 ' CE1' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -68.9 -40.93 78.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 tmtt? -54.81 -43.59 73.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.1 mt -68.67 -36.34 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.684 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -41.81 -37.29 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 84.11 30.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.9 ' CG2' HD12 ' A' ' 106' ' ' LEU . 4.6 m -84.26 6.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.689 ' CD2' ' CE1' ' A' ' 76' ' ' HIS . 15.2 m-85 -106.51 124.87 50.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.695 ' N ' HD11 ' A' ' 78' ' ' LEU . 19.4 m-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.519 0.2 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.94 121.48 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.977 HD12 HD11 ' A' ' 83' ' ' ILE . 5.4 mm -70.98 76.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 -28.94 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.12 153.77 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.1 t-20 -75.67 -28.09 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.371 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.67 -41.94 67.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.84 -26.0 67.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 13.2 m-85 -88.77 -33.17 17.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ASN . 2.3 tt0 -76.78 -48.05 19.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -38.98 -46.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.423 HG21 ' O ' ' A' ' 33' ' ' TYR . 1.1 mt -69.95 -56.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 15' ' ' PHE . 10.1 m-85 -48.78 -22.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.65 13.97 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.03 176.83 2.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.548 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 7.3 p-80 -122.44 111.26 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.618 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.511 ' HB3' ' CD1' ' A' ' 33' ' ' TYR . 52.9 p -95.98 158.31 15.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 105' ' ' VAL . 13.9 m -143.0 125.07 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -108.81 104.62 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.674 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 8.6 p30 -54.13 -88.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.243 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.674 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 18.5 mmt85 -124.32 -43.12 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.71 9.98 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.586 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -133.31 138.11 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.564 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -112.43 134.51 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.068 HG11 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -115.99 99.56 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 24' ' ' SER . 6.0 m-85 -80.8 93.02 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.603 HG21 ' HB1' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -114.55 159.01 20.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 16.3 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.237 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.501 ' C ' ' HA ' ' A' ' 79' ' ' ALA . 4.3 m-70 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' PHE . 1.8 p90 -116.93 128.62 55.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.656 ' CG ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -126.33 102.76 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.193 HD13 ' CD2' ' A' ' 70' ' ' PHE . 52.4 mt -80.59 138.2 36.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.731 ' C ' HD12 ' A' ' 47' ' ' ILE . . . -126.24 167.8 18.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.731 HD12 ' C ' ' A' ' 46' ' ' GLY . 4.4 mp -137.52 110.51 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 0.823 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.968 ' HB3' HG23 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -124.22 142.11 51.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 0.0 110.092 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.996 HG21 ' HG2' ' A' ' 59' ' ' ARG . 83.1 t -122.23 168.67 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.553 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -94.08 171.28 8.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -108.63 -0.21 20.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -106.09 -19.92 13.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.828 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -38.99 -71.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' ' 58' ' ' LEU . . . 165.38 -114.1 0.58 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.582 ' H ' HD12 ' A' ' 58' ' ' LEU . 1.3 t30 -97.33 177.2 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.82 -24.68 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.72 -39.25 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.582 HD12 ' H ' ' A' ' 55' ' ' ASN . 2.5 mt -73.19 -43.67 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.996 ' HG2' HG21 ' A' ' 49' ' ' VAL . 2.1 tmt_? -67.07 -12.95 61.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -87.05 -36.72 18.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.355 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -37.19 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.973 HG21 ' HB2' ' A' ' 86' ' ' ALA . 12.8 mt -76.14 -26.65 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' ILE . 81.6 tttt -87.85 -59.48 2.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -49.12 -30.8 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.45 ' CB ' HD12 ' A' ' 98' ' ' ILE . . . -80.32 -26.51 38.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -79.96 -18.97 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -8.61 20.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -106.79 1.88 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.49 ' ND2' ' NE2' ' A' ' 73' ' ' HIS . 8.5 t-20 -117.94 -69.13 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.405 1.066 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 1.193 ' CD2' HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -38.79 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASN . 13.3 mmmt -51.14 -21.82 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.605 HG22 ' CD2' ' A' ' 73' ' ' HIS . 2.6 m -98.01 -42.24 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.257 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.756 ' ND1' HD21 ' A' ' 106' ' ' LEU . 10.6 m-70 -68.17 -17.19 64.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.198 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' PHE . 6.4 tttp -70.78 -15.35 62.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.222 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 t -100.98 38.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.855 ' CE1' HD12 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -169.4 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.855 HD12 ' CE1' ' A' ' 76' ' ' HIS . 0.6 OUTLIER -45.71 138.85 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.773 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -113.94 179.53 3.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.559 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -52.84 130.54 33.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.232 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.628 ' O ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER 159.34 112.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -67.97 93.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.075 HG21 HG11 ' A' ' 111' ' ' VAL . 1.1 pp -105.2 172.59 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 1.075 HG22 HD11 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -171.38 114.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.042 ' C ' HD13 ' A' ' 85' ' ' ILE . 1.4 m -91.99 134.64 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.075 HD11 HG22 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -119.31 149.7 21.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.973 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -90.59 103.64 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.484 ' HD2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -46.78 175.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 110.238 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.5 OUTLIER -74.0 -48.87 6.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.4 Cg_endo -74.98 5.8 3.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 29' ' ' GLN . . . -76.32 -1.49 26.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -15.65 57.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.32 13.36 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.487 ' HG2' ' N ' ' A' ' 94' ' ' THR . 10.5 ttp -101.99 146.85 27.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.487 ' N ' ' HG2' ' A' ' 93' ' ' MET . 1.7 p -104.77 148.31 26.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.377 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -49.47 -22.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.86 -40.56 91.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.59 -22.77 46.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 102' ' ' LEU . 19.1 mt -60.11 -57.96 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -55.05 -33.5 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -83.06 -8.04 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.214 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.466 ' CB ' ' ND2' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -96.62 -51.18 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.977 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.771 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.9 OUTLIER -53.27 -30.77 40.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.88 1.96 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.591 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.8 OUTLIER -123.29 -70.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 1.024 HG22 ' HB ' ' A' ' 32' ' ' VAL . 11.9 p -43.95 -57.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.771 HD23 ' O ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -65.86 -41.45 91.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.223 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.439 ' N ' ' HG ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -51.3 -42.13 60.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.17 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 104' ' ' HIS . 14.9 mt -71.42 -37.94 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.229 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.068 ' HB2' HG11 ' A' ' 32' ' ' VAL . . . -42.58 -40.9 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 29.1 tttm 93.53 22.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.075 HG11 HG21 ' A' ' 82' ' ' ILE . 12.3 m -88.12 26.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.67 ' CE1' ' NE2' ' A' ' 76' ' ' HIS . 9.9 m-85 -114.6 122.06 45.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.773 ' N ' HD11 ' A' ' 78' ' ' LEU . 13.7 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.518 ' CB ' ' O ' ' A' ' 43' ' ' PHE . 6.8 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.533 0.206 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 10' ' ' LYS . 6.3 mtm-85 -72.68 117.53 14.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.873 HG13 HD11 ' A' ' 83' ' ' ILE . 5.8 mm -43.05 95.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ARG . 4.4 mtpt -105.85 4.08 29.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 141.26 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' PHE . 1.2 m120 -60.93 -59.85 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.99 -54.93 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' CB ' HG23 ' A' ' 9' ' ' ILE . 75.8 m-20 -45.91 -33.66 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.833 ' CE1' HG21 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.38 -42.97 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 17' ' ' ARG . 1.3 pp0? -64.62 -29.86 70.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -60.09 -40.02 88.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.555 ' N ' HD13 ' A' ' 18' ' ' ILE . 3.4 mm -64.03 -67.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -44.55 -25.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -72.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -46.02 2.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.78 108.74 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.407 ' O ' ' ND1' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 179.8 58.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 109.596 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.514 ' HB3' ' CD2' ' A' ' 33' ' ' TYR . 79.3 p -109.21 161.73 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 1.021 HG11 HG22 ' A' ' 108' ' ' ILE . 22.3 m -137.88 125.48 29.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB1' ' HD3' ' A' ' 87' ' ' ARG . . . -107.85 132.35 53.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.535 ' CG ' ' HB ' ' A' ' 105' ' ' VAL . 11.8 p-10 -107.74 -145.23 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.524 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -35.52 -70.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.787 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -143.89 27.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.548 ' C ' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -132.69 151.62 51.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 26' ' ' ALA . 1.2 m -135.53 142.89 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.976 HG12 HG12 ' A' ' 84' ' ' VAL . 12.1 m -127.26 133.27 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.521 ' HB3' HG21 ' A' ' 18' ' ' ILE . 18.0 m-85 -111.33 133.03 53.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 34.2 p -137.19 176.66 8.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.301 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.535 ' O ' ' HB3' ' A' ' 43' ' ' PHE . 1.2 m-70 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.628 ' CZ ' ' HG3' ' A' ' 74' ' ' LYS . 3.1 p90 175.1 165.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 111.046 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.542 ' HB3' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -135.0 -174.7 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.057 HD11 ' CD1' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -168.15 105.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.467 ' O ' HD12 ' A' ' 47' ' ' ILE . . . -88.14 -69.99 1.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.632 HG23 HG21 ' A' ' 66' ' ' ILE . 1.2 mt 75.33 111.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.981 ' CB ' HG23 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -134.83 168.49 18.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.718 HG11 ' HB2' ' A' ' 59' ' ' ARG . 3.1 t -159.81 148.21 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.3 t -93.82 159.43 15.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -94.3 -2.51 52.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -17.59 35.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 88' ' ' GLN . 2.3 mt -48.83 -66.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.545 ' N ' HD21 ' A' ' 58' ' ' LEU . . . 173.13 -99.68 0.14 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.442 1.089 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.98 -167.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.749 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -94.58 -22.27 18.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.14 -23.31 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.051 HD12 ' N ' ' A' ' 59' ' ' ARG . 1.7 pp -86.03 -36.92 19.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 1.051 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.41 -7.48 53.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.232 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -91.95 -28.58 17.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -87.11 -33.08 19.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.8 HG21 ' HB2' ' A' ' 86' ' ' ALA . 37.2 mt -68.94 -36.38 73.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' CD ' ' C ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -85.12 -40.26 16.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 11.1 ttt180 -56.31 -63.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB2' ' OG1' ' A' ' 95' ' ' THR . . . -55.43 -31.65 62.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.632 HG21 HG23 ' A' ' 47' ' ' ILE . 1.7 mt -57.28 -41.8 78.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -93.96 9.34 37.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -99.27 -17.15 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -115.74 -5.14 12.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 1.057 ' CD1' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -99.34 -31.58 11.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -9.46 41.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.92 -49.79 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.372 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 76' ' ' HIS . 79.1 m80 -79.33 -0.58 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.686 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.628 ' HG3' ' CZ ' ' A' ' 43' ' ' PHE . 1.5 ttpt -42.74 -37.78 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.51 -26.96 21.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 73' ' ' HIS . 14.5 m80 -67.05 -44.51 80.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.7 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -56.78 155.68 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.848 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.85 170.91 8.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HA ' ' C ' ' A' ' 42' ' ' HIS . . . -62.07 105.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER 177.65 103.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.6 t70 -33.53 123.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.924 HD13 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -128.55 143.33 41.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 1.064 HG22 HD11 ' A' ' 85' ' ' ILE . 16.3 mt -156.63 110.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.037 ' C ' HD13 ' A' ' 85' ' ' ILE . 6.8 m -97.69 130.65 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.064 HD11 HG22 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -120.07 163.88 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.8 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -97.49 111.44 23.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.508 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 18.1 mmm180 -33.93 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.604 ' O ' HD23 ' A' ' 53' ' ' LEU . 5.1 tp60 166.16 -46.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.03 4.97 4.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.367 1.719 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.981 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -90.99 18.48 6.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.378 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' HB3' ' CA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.2 -8.74 48.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.64 31.39 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.981 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -88.41 -170.17 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 93' ' ' MET . 1.7 p -155.89 160.09 39.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -52.76 -17.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.464 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.9 tm? -80.81 -49.45 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -70.3 -33.39 71.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.565 HG21 ' HB3' ' A' ' 65' ' ' ALA . 43.0 mt -58.33 -52.92 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -62.02 -37.8 86.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.73 -31.47 72.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.5 m -69.35 -46.64 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.654 HD23 HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -53.77 -26.84 25.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -2.3 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.636 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -133.97 -75.02 0.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.093 . . . . 0.0 109.578 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 106' ' ' LEU . 5.2 p -36.64 -56.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 1.032 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -70.32 -39.31 74.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.726 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -53.25 -21.06 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.364 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.021 HG22 HG11 ' A' ' 25' ' ' VAL . 4.8 mt -91.64 -35.72 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -58.74 -38.24 77.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 81.48 27.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.285 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.032 HG22 HD13 ' A' ' 106' ' ' LEU . 6.2 m -91.3 24.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.726 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 2.0 p90 -137.85 116.96 12.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.719 ' N ' HD11 ' A' ' 78' ' ' LEU . 21.7 m120 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.812 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.504 0.192 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.36 144.38 46.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 44' ' ' ARG . 1.1 mt -134.07 123.15 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 4.5 tttt -37.04 -36.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.587 ' HA ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 91.4 -13.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -113.84 -95.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.54 -41.03 63.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 18' ' ' ILE . 3.7 m-20 -63.47 -25.54 68.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.684 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 0.5 OUTLIER -89.62 -38.2 14.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -65.82 -45.03 83.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -21.77 7.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.468 ' N ' HD13 ' A' ' 18' ' ' ILE . 2.0 mm -84.67 -59.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.568 ' CD2' ' CE2' ' A' ' 33' ' ' TYR . 21.0 m-85 -61.59 -14.02 26.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -55.01 -79.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -127.42 12.93 7.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.25 -178.73 7.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.581 ' HE1' HG12 ' A' ' 25' ' ' VAL . 3.5 t-80 -118.11 109.57 16.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 33' ' ' TYR . 49.6 p -93.82 140.78 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.083 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.581 HG12 ' HE1' ' A' ' 23' ' ' HIS . 34.8 m -132.15 124.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -119.27 130.6 55.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' N ' HG23 ' A' ' 105' ' ' VAL . 19.2 t-20 -85.45 -94.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -111.61 -55.42 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.677 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -132.35 14.12 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.367 1.042 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HE2' HG23 ' A' ' 98' ' ' ILE . 1.4 t80 -123.63 145.12 49.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.477 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -137.13 114.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 109' ' ' ALA . 27.0 m -113.4 114.35 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.568 ' CE2' ' CD2' ' A' ' 19' ' ' TYR . 5.5 m-85 -93.86 137.0 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.5 p -137.15 162.69 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.1 m80 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.812 ' CZ ' ' CE1' ' A' ' 7' ' ' TYR . 29.2 p90 -58.75 174.76 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.659 ' O ' HG22 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -131.88 163.39 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.671 HD11 ' CG ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -152.78 98.03 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.425 ' O ' ' HB ' ' A' ' 47' ' ' ILE . . . -91.83 -57.38 1.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.831 HG23 HG21 ' A' ' 66' ' ' ILE . 1.9 mp 74.35 111.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.502 ' OG ' ' CZ ' ' A' ' 15' ' ' PHE . 4.4 m -140.86 173.28 11.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.811 HG12 HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -129.47 -156.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.63 ' CB ' HD12 ' A' ' 53' ' ' LEU . 19.8 t -101.54 172.08 7.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.58 -3.27 55.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -19.42 12.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.07 HD23 HD22 ' A' ' 58' ' ' LEU . 1.8 mt -79.6 -101.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 42.35 85.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.986 ' N ' HD11 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -156.5 -165.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 60' ' ' ASN . . . -116.57 -20.25 9.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 p -85.54 -32.41 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.07 HD22 HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -88.16 -43.56 11.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.857 ' H ' HD12 ' A' ' 58' ' ' LEU . 15.6 mtp85 -66.26 -6.6 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.2 m-20 -95.15 -18.6 20.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -115.27 -12.07 11.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.821 HD11 ' O ' ' A' ' 90' ' ' ALA . 51.9 mt -108.25 -31.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 59' ' ' ARG . 1.1 ttpp -97.47 -4.97 37.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 ttt85 -86.89 -50.76 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.698 ' HB2' HG23 ' A' ' 95' ' ' THR . . . -69.87 -16.83 63.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.831 HG21 HG23 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -79.31 -30.33 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 11.13 30.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -115.72 -0.63 12.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -118.71 -61.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.671 ' CG ' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -50.21 -18.28 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -46.14 90.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 69' ' ' ASN . 3.1 m -81.73 -43.62 19.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.592 ' HB3' HD13 ' A' ' 77' ' ' ILE . 72.0 m80 -72.39 -3.99 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.684 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -48.37 -27.04 2.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -102.42 -17.32 15.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.473 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -83.9 -14.87 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.61 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.592 HD13 ' HB3' ' A' ' 73' ' ' HIS . 1.7 mp -96.9 146.11 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.86 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.74 173.31 6.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.378 1.049 . . . . 0.0 109.257 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' O ' ' CD ' ' A' ' 80' ' ' LYS . . . -53.26 122.96 10.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER 171.24 108.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.2 t0 -39.98 105.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.998 HG12 HG11 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -103.98 144.89 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.944 HD13 ' O ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -144.67 83.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 84' ' ' VAL . 16.6 m -73.56 98.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -102.49 159.3 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.675 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -106.94 117.99 35.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.603 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -49.75 -170.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.496 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -82.76 -56.76 0.48 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.603 ' HD2' ' HB3' ' A' ' 87' ' ' ARG . 18.1 Cg_endo -75.07 10.51 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.547 1.814 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.821 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -85.55 19.62 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -90.04 -38.22 13.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.08 25.59 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.543 ' HG2' ' N ' ' A' ' 94' ' ' THR . 10.1 ttp -99.84 152.72 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.543 ' N ' ' HG2' ' A' ' 93' ' ' MET . 7.9 p -110.9 146.17 37.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.698 HG23 ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -47.05 -22.6 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 1.8 tm? -65.39 -38.77 91.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.7 mt-30 -78.55 -30.51 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.693 HG21 ' HB3' ' A' ' 65' ' ' ALA . 97.2 mt -63.41 -56.89 14.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.489 ' NE2' HG22 ' A' ' 95' ' ' THR . 2.8 pt20 -56.73 -24.23 48.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 96' ' ' LEU . 50.9 m-20 -90.49 -15.45 30.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.84 -47.72 6.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.905 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -52.7 -33.26 46.86 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -0.91 12.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.607 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -128.02 -72.08 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.628 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 30' ' ' PHE . 2.6 p -44.32 -50.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.91 HD12 ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -70.31 -39.42 74.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -52.79 -40.64 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.576 HD11 ' NE2' ' A' ' 104' ' ' HIS . 45.3 mt -74.18 -36.85 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -38.56 -30.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.1 OUTLIER 88.12 14.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.998 HG11 HG12 ' A' ' 82' ' ' ILE . 33.6 m -93.15 29.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 106' ' ' LEU . 1.2 m-85 -124.7 115.5 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.86 ' N ' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.65 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.52 0.2 . . . . 0.0 111.028 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.63 123.67 49.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.769 HD11 ' HB3' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -88.83 -157.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.406 1.066 . . . . 0.0 109.238 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.655 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER 160.26 -27.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.367 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.67 153.44 27.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.0 m-20 -79.69 -22.92 42.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.48 -53.02 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.564 ' HB3' HG21 ' A' ' 9' ' ' ILE . 6.6 m-20 -63.26 -28.65 70.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.696 ' CE2' HG21 ' A' ' 83' ' ' ILE . 1.6 m-85 -84.77 -19.27 32.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -90.9 -46.2 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.58 -30.86 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.445 HG23 ' HB3' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -82.84 -48.23 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.647 ' CZ ' ' CZ ' ' A' ' 33' ' ' TYR . 5.8 m-85 -67.99 -8.67 39.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -64.47 -83.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.96 13.57 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.31 -157.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -136.93 93.33 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.573 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.548 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 74.8 p -97.54 136.81 37.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.08 . . . . 0.0 110.056 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.917 HG11 HG22 ' A' ' 108' ' ' ILE . 17.7 m -103.97 -175.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -177.51 126.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.553 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 2.5 p30 -83.66 -89.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 5.8 ttm180 -122.51 -46.59 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -138.14 18.72 2.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.775 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -137.61 131.56 31.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -130.7 128.59 63.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.046 HG12 HG12 ' A' ' 84' ' ' VAL . 17.5 m -116.21 105.8 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.647 ' CZ ' ' CZ ' ' A' ' 19' ' ' TYR . 7.9 m-85 -78.75 123.02 26.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.595 HG21 ' HB1' ' A' ' 109' ' ' ALA . 44.9 p -137.84 150.34 47.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.445 ' HB3' HG23 ' A' ' 18' ' ' ILE . 2.6 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.268 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.516 ' O ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.65 ' CE1' ' CD2' ' A' ' 7' ' ' TYR . 32.9 p90 168.88 110.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.769 ' HB3' HD11 ' A' ' 9' ' ' ILE . 40.0 mtt-85 -65.66 84.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' HG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -77.31 98.63 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.59 138.99 15.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.705 HG12 HD13 ' A' ' 66' ' ' ILE . 5.0 mt -120.31 128.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.468 ' C ' HG23 ' A' ' 49' ' ' VAL . 1.4 m -136.21 167.12 21.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.776 ' CG1' HD13 ' A' ' 53' ' ' LEU . 39.5 t -154.48 173.05 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.594 ' N ' HG12 ' A' ' 49' ' ' VAL . 30.1 t -93.02 162.5 14.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.054 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -99.23 1.62 44.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -107.51 -17.35 14.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.066 HD22 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -39.98 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.691 ' CA ' HD21 ' A' ' 58' ' ' LEU . . . 174.25 -114.36 0.5 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.58 ' CG ' HG12 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -92.9 -172.31 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.65 -24.5 27.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.373 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.58 HG12 ' CG ' ' A' ' 55' ' ' ASN . 4.2 p -57.66 -40.74 76.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.066 HD13 HD22 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -73.95 -28.69 61.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.989 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -77.74 -11.55 59.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -90.67 -36.38 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HA ' ' CG ' ' A' ' 64' ' ' ARG . 2.4 tttp -75.79 -10.34 59.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.073 HG21 ' HB2' ' A' ' 86' ' ' ALA . 66.2 mt -98.12 -32.22 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.676 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -89.91 -35.65 15.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HB3' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -68.46 -33.76 74.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 1.007 ' HB2' ' OG1' ' A' ' 95' ' ' THR . . . -59.67 -42.34 92.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.705 HD13 HG12 ' A' ' 47' ' ' ILE . 21.3 mt -56.32 -45.89 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -2.94 22.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -23.58 14.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.236 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.55 ' O ' HG22 ' A' ' 72' ' ' VAL . 1.1 t30 -108.83 -61.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CE1' HG12 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -53.23 -17.93 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.441 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -64.85 -51.17 63.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.595 ' O ' ' CE1' ' A' ' 76' ' ' HIS . 5.2 m -74.54 -40.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.188 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.574 ' HA ' ' CG ' ' A' ' 76' ' ' HIS . 89.2 m-70 -77.05 0.54 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -52.92 -45.06 67.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.15 10.58 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.587 1.179 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.595 ' CE1' ' O ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -113.24 -30.28 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.626 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.56 HG12 ' CE1' ' A' ' 70' ' ' PHE . 1.6 mp -75.99 153.56 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.755 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -122.46 174.55 6.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.53 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -59.78 136.45 58.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.613 ' O ' HG22 ' A' ' 82' ' ' ILE . 1.3 mtpm? 161.96 127.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -63.61 97.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.89 HD11 HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -115.76 152.75 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.696 HG21 ' CE2' ' A' ' 15' ' ' PHE . 22.6 mt -152.45 106.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.046 HG12 HG12 ' A' ' 32' ' ' VAL . 2.0 m -92.16 127.07 44.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.541 ' HB ' HG13 ' A' ' 31' ' ' VAL . 2.5 mp -115.09 167.97 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.073 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -90.75 42.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.523 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 18.5 tpt180 33.97 -92.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -169.84 -56.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 87' ' ' ARG . 18.1 Cg_endo -75.01 6.94 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.545 1.813 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.99 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -78.02 42.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.723 ' CB ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -120.41 -0.2 10.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -122.9 12.28 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.559 ' HE3' ' HB1' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -117.22 161.43 19.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 97' ' ' GLN . 7.4 p -112.83 157.45 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 1.007 ' OG1' ' HB2' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -47.44 -21.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -72.5 -39.97 67.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.2 mt-30 -81.91 -34.66 29.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.629 HG22 ' HA ' ' A' ' 95' ' ' THR . 2.0 tt -66.29 -42.9 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 95' ' ' THR . 16.1 pt20 -71.09 -28.94 64.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -73.32 -20.8 60.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.374 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.436 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -103.35 -23.55 13.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.916 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 106' ' ' LEU . 1.6 tt -57.43 -33.5 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 1.9 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.514 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -115.15 -70.54 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 109.566 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.775 HG21 ' O ' ' A' ' 30' ' ' PHE . 4.8 p -43.89 -49.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.68 HD21 ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -67.44 -39.32 85.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -23.77 58.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.917 HG22 HG11 ' A' ' 25' ' ' VAL . 3.2 mt -90.7 -21.01 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.825 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -64.27 -26.96 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt 80.9 17.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.667 HG22 HD12 ' A' ' 106' ' ' LEU . 6.5 m -91.1 26.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.68 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -128.05 118.75 24.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.684 ' N ' HD11 ' A' ' 78' ' ' LEU . 29.8 m120 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.758 ' CD2' ' CZ ' ' A' ' 43' ' ' PHE . 5.2 m-30 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.479 0.181 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.71 132.77 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.45 ' C ' ' N ' ' A' ' 11' ' ' LYS . 5.1 mt -105.5 114.83 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -39.57 -29.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 91.07 -9.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.206 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.7 m-20 -121.54 -89.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.41 -47.92 62.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.599 ' O ' HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -58.81 -23.33 60.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.669 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -94.0 -33.44 13.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ASN . 4.9 pt20 -68.68 -41.87 78.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' C ' HD13 ' A' ' 18' ' ' ILE . 86.0 mtt180 -59.14 -22.92 61.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.803 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -82.15 -59.69 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.605 ' CD1' ' CE2' ' A' ' 33' ' ' TYR . 9.4 m-85 -60.42 -13.54 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 -15.95 14.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.426 ' HA2' ' CB ' ' A' ' 35' ' ' CYS . . . -42.31 165.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.487 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 8.1 p80 -115.69 106.86 14.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.607 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.652 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 16.5 p -89.99 141.6 28.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.663 HG22 HG23 ' A' ' 32' ' ' VAL . 3.8 m -128.63 151.72 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.777 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -141.1 139.17 33.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.653 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 9.1 p30 -89.65 -81.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.653 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -123.08 -49.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.523 ' NE2' ' HG2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -140.09 9.82 2.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.787 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -131.75 136.15 47.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.777 HG12 ' CB ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -124.14 148.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.014 HG12 HG12 ' A' ' 84' ' ' VAL . 15.4 m -130.86 113.49 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.652 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 5.0 m-85 -87.23 118.07 26.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.667 HG21 ' HB1' ' A' ' 109' ' ' ALA . 12.1 p -141.8 155.22 45.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.426 ' CB ' ' HA2' ' A' ' 22' ' ' GLY . 44.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 108.283 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.758 ' CZ ' ' CD2' ' A' ' 7' ' ' TYR . 45.1 p90 -54.84 -166.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.434 ' HB2' HG13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 179.06 126.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.078 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -99.1 138.43 36.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.19 -46.87 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.556 HG13 HD23 ' A' ' 45' ' ' LEU . 1.8 mt 71.75 139.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.658 ' HB3' HG23 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -148.98 140.73 23.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.724 HG13 HD12 ' A' ' 53' ' ' LEU . 2.0 t -146.66 159.6 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 23.9 t -93.38 160.16 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 2.92 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -100.13 -14.84 18.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 91' ' ' LYS . 28.1 mt -43.71 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.623 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 179.51 -116.84 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -174.34 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . . . -88.98 -22.73 22.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.13 -29.26 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.039 HD12 ' N ' ' A' ' 59' ' ' ARG . 2.7 pp -88.38 -39.57 14.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 1.039 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -73.11 -5.33 38.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -94.13 -34.67 12.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -36.12 60.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.838 ' O ' HD13 ' A' ' 66' ' ' ILE . 85.3 mt -64.07 -32.56 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -92.01 -48.03 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 7.3 ttt180 -50.45 -68.56 0.16 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.695 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -52.43 -25.72 10.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.838 HD13 ' O ' ' A' ' 62' ' ' ILE . 1.0 OUTLIER -68.13 -39.54 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 4.15 50.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 110.233 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.44 -4.7 14.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.421 ' HB2' ' OE1' ' A' ' 99' ' ' GLN . 2.5 t30 -120.75 -3.99 9.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 1.078 ' CE2' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -98.8 -33.27 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -53.37 -23.07 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.203 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.416 HG23 ' CD2' ' A' ' 73' ' ' HIS . 19.5 m -91.99 -39.25 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.593 1.183 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.798 ' CE1' HD21 ' A' ' 106' ' ' LEU . 24.2 m-70 -74.59 -12.36 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.562 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.41 -6.56 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.2 -11.47 26.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.605 ' HE2' ' CG ' ' A' ' 73' ' ' HIS . 0.8 OUTLIER -134.36 17.82 3.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.722 ' CG2' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -80.93 142.51 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 1.023 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.55 156.41 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -39.27 114.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER 172.4 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.504 ' O ' HG22 ' A' ' 34' ' ' THR . 0.4 OUTLIER -34.42 96.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.927 HD13 HG11 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -87.93 113.25 24.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.669 ' CG2' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -140.51 98.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.014 HG12 HG12 ' A' ' 32' ' ' VAL . 3.8 m -90.94 114.76 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.658 HG23 ' HB3' ' A' ' 48' ' ' SER . 2.1 mp -102.46 149.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.781 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -94.69 118.21 31.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' ALA . 2.1 tpt180 -59.24 -146.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.527 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -86.85 -58.92 0.28 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.337 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.5 Cg_endo -74.96 6.54 3.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.797 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.668 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -62.73 -13.95 38.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.372 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.834 ' HB3' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -83.52 -25.04 31.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 7.2 m-20 -81.44 -5.47 57.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.593 ' O ' HG23 ' A' ' 94' ' ' THR . 0.0 OUTLIER -74.89 -172.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 98' ' ' ILE . 1.5 p -156.84 160.99 39.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 1.3 m -49.06 -17.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 96' ' ' LEU . 3.0 tm? -83.0 -45.9 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' C ' ' N ' ' A' ' 99' ' ' GLN . 36.3 mt-30 -72.49 -40.75 66.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.695 HG21 ' HB3' ' A' ' 65' ' ' ALA . 1.0 OUTLIER -44.91 -25.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.421 ' OE1' ' HB2' ' A' ' 69' ' ' ASN . 4.1 mm100 -88.12 -43.3 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.01 -9.77 42.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.404 ' CB ' HD21 ' A' ' 27' ' ' ASN . 0.5 OUTLIER -89.73 -66.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.781 ' HB3' HD23 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -45.21 -44.82 11.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -47.41 -27.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 1.041 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -111.21 -75.82 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.523 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.716 HG22 HG22 ' A' ' 32' ' ' VAL . 7.9 p -36.86 -54.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 1.033 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -63.16 -45.3 92.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.655 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 6.0 tmtt? -49.52 -26.2 3.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.241 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.041 HD11 ' CE1' ' A' ' 104' ' ' HIS . 16.7 mt -85.45 -39.19 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.901 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -53.69 -39.78 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.511 ' O ' HD21 ' A' ' 78' ' ' LEU . 3.1 tttm 82.88 31.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.033 HG22 HD13 ' A' ' 106' ' ' LEU . 11.4 m -88.93 20.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.721 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -158.3 137.54 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.636 ' H ' ' ND2' ' A' ' 113' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.509 0.195 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -76.18 172.72 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.849 HG21 HD11 ' A' ' 83' ' ' ILE . 2.3 mm -124.47 70.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 -19.83 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -87.89 115.96 25.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -42.56 -43.69 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.92 -43.43 49.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' LYS . 31.5 m-20 -57.02 -26.84 60.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.592 ' CD2' HG22 ' A' ' 9' ' ' ILE . 1.8 m-85 -94.46 -37.12 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -38.32 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -22.53 47.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.583 HD12 ' HB2' ' A' ' 81' ' ' ASP . 1.5 mm -87.09 -54.33 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.527 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 4.7 m-85 -64.38 -12.79 46.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.07 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -59.59 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.26 12.68 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.34 173.73 3.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.162 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.526 ' CD2' HG13 ' A' ' 25' ' ' VAL . 23.3 t60 -117.67 107.34 14.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 0.806 . . . . 0.0 109.626 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.632 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 73.1 p -94.7 139.7 30.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.818 HG11 HG22 ' A' ' 108' ' ' ILE . 34.1 m -130.32 127.98 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -122.12 132.5 54.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.613 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 2.6 p-10 -85.61 -81.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.613 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -122.41 -53.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.525 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -129.51 -2.68 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -105.55 146.01 30.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.946 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -139.62 105.18 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 109' ' ' ALA . 23.0 m -102.38 132.34 48.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.65 ' CD1' ' CD1' ' A' ' 85' ' ' ILE . 3.1 m-85 -105.16 149.57 25.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.811 HG22 HG22 ' A' ' 82' ' ' ILE . 3.9 p -149.79 163.57 37.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 39.2 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 108.261 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 36.8 p90 -46.9 86.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -75.86 91.24 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.891 HD11 ' CD2' ' A' ' 70' ' ' PHE . 1.7 mt -78.21 138.39 38.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.665 ' O ' HD12 ' A' ' 47' ' ' ILE . . . -118.58 -141.51 6.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -167.81 122.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.401 0.706 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.973 ' CB ' HG23 ' A' ' 85' ' ' ILE . 54.2 m -140.84 138.11 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 50' ' ' SER . 55.5 t -152.56 168.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.609 ' HB3' HD12 ' A' ' 53' ' ' LEU . 29.6 t -90.3 160.7 16.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -7.11 23.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -14.23 26.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.753 HD11 ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -45.92 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.842 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . -168.96 -114.58 0.3 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.16 -179.91 4.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -67.54 -22.45 65.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.7 -28.93 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.842 HD12 ' HA3' ' A' ' 54' ' ' GLY . 12.9 mt -70.91 -47.14 60.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.542 ' CB ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -79.25 -0.07 30.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.7 m-20 -100.39 -31.0 11.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.13 -16.7 34.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.392 1.057 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.001 HD11 ' O ' ' A' ' 90' ' ' ALA . 26.1 mt -88.01 -32.96 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CG ' HG12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -93.22 -16.2 25.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.369 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 6.5 ttt180 -79.41 -60.94 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.706 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -40.8 -52.32 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.778 HG13 HG11 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -53.52 -44.46 56.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ARG . 9.0 mtp-105 -68.58 -7.35 31.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.83 -13.29 14.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.417 ' O ' HG22 ' A' ' 72' ' ' VAL . 13.4 t-20 -96.03 -55.48 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.891 ' CD2' HD11 ' A' ' 45' ' ' LEU . 2.0 m-85 -60.27 -11.77 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.04 -47.4 86.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.461 ' CG2' ' CD2' ' A' ' 73' ' ' HIS . 2.7 m -74.93 -42.74 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.574 ' O ' HD13 ' A' ' 77' ' ' ILE . 74.9 m-70 -78.4 6.42 8.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -55.41 -43.16 75.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.64 -0.25 54.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.562 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -102.07 -24.33 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.59 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.616 ' CG2' ' CB ' ' A' ' 43' ' ' PHE . 1.7 mp -82.63 142.07 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.906 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -109.69 169.33 8.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 80' ' ' LYS . . . -61.33 129.71 42.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 9.8 mttt 167.77 118.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.583 ' HB2' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -51.25 112.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.381 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 1.04 HG21 ' CG1' ' A' ' 111' ' ' VAL . 1.6 pp -128.59 -169.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.849 HD11 HG21 ' A' ' 9' ' ' ILE . 0.2 OUTLIER 173.41 130.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.778 HG11 HG13 ' A' ' 66' ' ' ILE . 16.9 m -98.52 108.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.215 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.973 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -111.08 147.36 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.768 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -97.88 124.13 42.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.576 ' O ' ' O ' ' A' ' 86' ' ' ALA . 21.6 mmm180 -47.42 -171.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.266 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.516 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.8 OUTLIER -56.32 -50.83 85.37 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.538 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 -97.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.001 ' O ' HD11 ' A' ' 62' ' ' ILE . . . 60.08 5.18 0.73 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.498 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -96.08 -36.18 11.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -80.67 -0.4 38.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.525 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 6.3 ttp -101.24 140.23 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 97' ' ' GLN . 10.9 p -107.23 151.81 24.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.392 1.057 . . . . 0.0 110.377 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.87 ' HA ' HD12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -47.64 -23.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.6 -38.71 90.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 94' ' ' THR . 20.5 mt-30 -83.85 -17.49 40.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 95' ' ' THR . 81.9 mt -69.55 -58.04 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.27 -16.17 13.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -100.28 -18.02 17.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -91.83 -41.19 10.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.793 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -52.86 -23.9 7.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.62 1.44 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.523 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.7 OUTLIER -126.26 -75.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 32' ' ' VAL . 4.3 p -42.19 -52.65 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.814 HD12 ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -67.04 -39.75 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -56.22 -35.19 67.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.818 HG22 HG11 ' A' ' 25' ' ' VAL . 14.0 mt -79.84 -26.73 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.11 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -49.91 -34.57 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 15.6 tttm 88.11 20.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.04 ' CG1' HG21 ' A' ' 82' ' ' ILE . 21.9 m -90.84 26.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -127.2 125.38 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.598 ' CG ' HD12 ' A' ' 78' ' ' LEU . 69.2 m-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.501 ' HE1' ' CE2' ' A' ' 43' ' ' PHE . 22.4 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.576 0.227 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.45 150.88 29.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.726 HD13 ' HB3' ' A' ' 44' ' ' ARG . 18.4 mm -61.05 102.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' ILE . 1.2 tptp -39.34 -44.96 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -161.99 159.31 26.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' PHE . 3.2 t-20 -45.67 -40.46 9.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' GLN . . . -40.54 -65.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.519 ' HB2' HG23 ' A' ' 9' ' ' ILE . 1.8 m-20 -40.42 -37.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 1.185 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -78.61 -41.61 31.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.054 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 4.7 pt20 -66.69 -44.32 82.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' N ' ' CG ' ' A' ' 16' ' ' GLN . 2.9 mpt_? -50.88 -24.17 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.663 HD12 HD12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.96 -50.09 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -64.43 -13.13 49.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -78.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -127.53 11.41 6.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.239 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.36 167.05 0.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -122.7 106.85 11.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.554 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.662 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 51.6 p -105.36 164.42 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.834 HG11 HG22 ' A' ' 108' ' ' ILE . 24.4 m -137.94 128.45 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.53 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -114.36 131.47 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.636 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 6.2 p30 -85.03 -89.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.636 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 3.4 mmt85 -115.66 -45.74 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.725 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 7.6 mt-30 -144.99 14.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.596 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -134.09 134.29 42.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.58 HG23 HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -123.32 149.07 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.07 HG12 HG12 ' A' ' 84' ' ' VAL . 14.0 m -132.63 106.32 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.662 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 4.2 m-85 -80.32 123.01 27.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.583 HG21 ' HB1' ' A' ' 109' ' ' ALA . 65.1 p -139.73 154.17 47.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.424 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.243 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.458 ' N ' ' CB ' ' A' ' 79' ' ' ALA . 4.9 p80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.639 ' N ' ' HA ' ' A' ' 79' ' ' ALA . 12.9 p90 -103.39 107.51 18.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 111.057 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.726 ' HB3' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -66.79 95.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -77.46 92.2 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.89 -177.18 36.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.413 1.071 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.621 ' CG1' HG21 ' A' ' 66' ' ' ILE . 1.6 mp -145.95 131.76 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 0.794 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.763 ' HB3' HG23 ' A' ' 85' ' ' ILE . 13.6 m -133.88 130.22 37.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 50' ' ' SER . 2.5 t -115.04 162.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -95.32 169.45 10.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.03 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -0.18 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -108.71 -18.84 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.785 ' CD2' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -38.66 -69.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.749 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 170.82 -109.76 0.33 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.552 ' O ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -91.49 -156.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.423 0.719 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -105.37 -19.73 13.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.32 -25.88 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.922 HD12 ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -85.77 -25.19 26.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.422 1.076 . . . . 0.0 109.235 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.922 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -87.89 -11.01 48.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.75 -31.4 20.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 -33.06 38.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.787 HG21 ' CB ' ' A' ' 86' ' ' ALA . 47.5 mt -72.51 -40.73 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.786 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -77.69 -26.21 50.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -72.28 -50.49 26.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.998 ' HB1' HG21 ' A' ' 98' ' ' ILE . . . -63.68 -20.2 65.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 63' ' ' LYS . 6.8 mt -64.68 -36.91 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -100.13 10.54 41.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.9 -3.38 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.345 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.56 ' O ' HG22 ' A' ' 72' ' ' VAL . 9.8 t-20 -121.92 -39.92 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.911 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.7 m-85 -73.67 5.63 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 2.52 28.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.661 HG22 ' CD2' ' A' ' 73' ' ' HIS . 1.4 m -108.0 -51.58 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.661 ' CD2' HG22 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -85.39 8.85 17.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.573 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -68.81 -9.13 49.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.47 -39.18 17.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -103.48 26.02 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -104.14 140.65 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -110.35 176.26 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.639 ' HA ' ' N ' ' A' ' 43' ' ' PHE . . . -59.52 -154.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 90.72 116.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.458 ' HB2' HD11 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -46.97 121.57 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.198 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -127.12 136.87 59.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 1.185 HD13 ' CE1' ' A' ' 15' ' ' PHE . 96.7 mt -146.46 108.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.07 HG12 HG12 ' A' ' 32' ' ' VAL . 3.5 m -93.67 110.91 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.763 HG23 ' HB3' ' A' ' 48' ' ' SER . 0.9 OUTLIER -102.79 144.17 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.787 ' CB ' HG21 ' A' ' 62' ' ' ILE . . . -89.99 115.21 27.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.542 ' O ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -54.76 -164.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -81.11 -54.17 0.73 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 87' ' ' ARG . 18.0 Cg_endo -75.08 3.84 5.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.43 1.753 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 29' ' ' GLN . . . -60.19 -15.73 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -56.78 17.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 5.1 m-20 -47.58 -30.66 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.566 ' CG ' ' HB2' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -85.43 128.21 34.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.942 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 98' ' ' ILE . 12.9 p -118.74 -171.46 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.682 ' OG1' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -54.43 -15.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -91.05 -45.45 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.566 ' HB2' ' CG ' ' A' ' 93' ' ' MET . 33.8 mt-30 -78.47 -13.07 60.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.998 HG21 ' HB1' ' A' ' 65' ' ' ALA . 0.1 OUTLIER -64.7 -54.88 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.521 ' N ' HG22 ' A' ' 98' ' ' ILE . 6.4 mt-30 -55.52 -18.34 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.88 -17.9 27.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.435 ' OG ' ' ND2' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -98.31 -51.91 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.977 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -53.9 -26.2 23.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.82 0.82 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.212 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.542 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -128.12 -75.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.893 HG22 HG22 ' A' ' 32' ' ' VAL . 6.2 p -39.02 -55.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.946 HD13 ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.82 -40.44 88.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.692 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 12.7 tttt -57.12 -17.46 10.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.834 HG22 HG11 ' A' ' 25' ' ' VAL . 2.6 mt -95.8 -39.19 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.692 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -50.36 -40.17 48.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 78.5 33.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.946 ' CG2' HD13 ' A' ' 106' ' ' LEU . 16.0 m -81.27 4.25 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.692 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 2.9 p90 -129.03 122.92 31.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.724 ' N ' HD11 ' A' ' 78' ' ' LEU . 1.5 p-10 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.397 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.827 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 11.8 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.484 0.183 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -77.77 118.88 20.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.25 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 9' ' ' ILE . 13.3 mt -89.96 98.34 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -100.86 4.57 42.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -111.96 161.63 16.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.4 m-20 -89.08 -19.98 24.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.15 73.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 9' ' ' ILE . 8.2 m-20 -61.87 -33.39 74.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.952 ' CE1' HD13 ' A' ' 83' ' ' ILE . 1.1 m-85 -80.18 -25.74 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 tt0 -85.12 -37.68 19.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -50.52 -25.5 4.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.698 HD11 ' OD1' ' A' ' 81' ' ' ASP . 1.1 mt -88.15 -48.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CE1' ' CD2' ' A' ' 33' ' ' TYR . 7.8 m-85 -64.96 -16.69 63.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -70.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -60.23 -22.66 63.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.36 122.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 179.22 59.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 109.623 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.627 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 2.6 p -97.32 158.87 15.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.558 HG22 HG12 ' A' ' 32' ' ' VAL . 19.0 m -150.28 128.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . . . -113.59 106.13 14.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.621 ' OD1' ' CE1' ' A' ' 104' ' ' HIS . 11.1 t-20 -53.68 -96.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.504 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.6 OUTLIER -124.53 -39.81 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.798 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 20.0 mt-30 -139.58 9.78 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.589 ' HE1' HG23 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -134.79 144.84 47.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.664 HG22 ' HB ' ' A' ' 85' ' ' ILE . 1.7 m -116.84 130.1 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.079 HG11 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -119.96 120.99 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.627 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 4.2 m-85 -109.01 95.53 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.895 HG21 ' HB1' ' A' ' 109' ' ' ALA . 7.7 p -114.08 147.23 39.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.376 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.411 ' C ' ' HA ' ' A' ' 79' ' ' ALA . 2.5 m170 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.827 ' CZ ' ' CZ ' ' A' ' 7' ' ' TYR . 54.6 p90 -74.78 108.0 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 82' ' ' ILE . 5.1 mtt180 -86.58 96.78 10.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.023 HD13 ' CD2' ' A' ' 70' ' ' PHE . 9.0 mt -77.3 115.04 16.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.445 ' O ' HD13 ' A' ' 47' ' ' ILE . . . -101.03 153.88 19.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.688 HD12 HG21 ' A' ' 66' ' ' ILE . 32.8 mm -135.75 110.49 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.702 ' CB ' HG23 ' A' ' 85' ' ' ILE . 30.6 m -141.81 175.24 9.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.727 HG12 HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -137.59 -165.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.45 ' HB3' HD12 ' A' ' 53' ' ' LEU . 40.3 t -102.09 168.21 9.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -4.46 43.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -24.24 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.729 HD23 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -82.71 -104.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.454 ' N ' HD21 ' A' ' 58' ' ' LEU . . . 52.25 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.681 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -175.44 170.69 2.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 0.73 . . . . 0.0 109.253 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 60' ' ' ASN . . . -95.18 -21.51 18.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -81.05 -31.67 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.963 HD12 ' N ' ' A' ' 59' ' ' ARG . 4.1 pp -85.34 -45.68 11.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.963 ' N ' HD12 ' A' ' 58' ' ' LEU . 14.2 ttp180 -64.93 -8.44 15.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.1 m-20 -93.01 -14.95 26.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.748 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -115.22 -11.28 12.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.7 HG21 ' HB2' ' A' ' 86' ' ' ALA . 97.2 mt -108.71 -29.08 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -98.08 -15.95 19.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 8.1 ttt180 -70.51 -52.27 23.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.691 ' HB3' ' CG2' ' A' ' 98' ' ' ILE . . . -71.29 -23.37 61.94 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.962 HD12 HD11 ' A' ' 102' ' ' LEU . 0.7 OUTLIER -72.48 -37.82 58.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 10.12 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.28 -28.54 12.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -108.01 -9.76 15.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 1.023 ' CD2' HD13 ' A' ' 45' ' ' LEU . 2.1 m-30 -81.6 -8.24 59.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.69 -4.12 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -117.34 -45.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.685 ' HB3' HD13 ' A' ' 77' ' ' ILE . 77.7 m80 -76.21 -7.76 55.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 1.5 tttm -45.21 -31.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -96.21 -21.97 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.942 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.524 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -76.01 -21.78 56.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' A' ' 73' ' ' HIS . 1.6 mp -95.57 144.29 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.831 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.91 175.14 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.61 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -55.67 133.61 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.61 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 155.43 110.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.698 ' OD1' HD11 ' A' ' 18' ' ' ILE . 3.8 t0 -41.75 103.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.771 HD12 HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -116.22 148.65 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.952 HD13 ' CE1' ' A' ' 15' ' ' PHE . 18.3 mt -154.57 114.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.916 HG12 HG22 ' A' ' 32' ' ' VAL . 4.1 m -100.67 94.72 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.702 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -91.07 143.75 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.7 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -86.16 121.26 28.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.71 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -57.1 -161.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.633 ' HB3' ' HD3' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -81.61 -55.83 0.61 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.71 ' HD2' ' HB3' ' A' ' 87' ' ' ARG . 18.0 Cg_endo -75.03 6.6 3.31 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' A' ' 29' ' ' GLN . . . -70.15 -4.72 22.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.572 ' CB ' HD21 ' A' ' 53' ' ' LEU . 3.9 ptpp? -83.92 -29.81 26.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.5 0.1 35.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.459 ' CE ' HG13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -75.95 -167.04 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.711 ' O ' HD12 ' A' ' 98' ' ' ILE . 63.4 p -150.3 169.12 22.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -9.31 7.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.475 HD13 ' ND2' ' A' ' 100' ' ' ASN . 1.4 tm? -95.63 -42.34 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -60.72 -58.99 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.748 HD13 ' O ' ' A' ' 61' ' ' LYS . 2.0 mp -37.18 -58.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.601 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 46.9 mt-30 -53.06 -44.81 67.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.475 ' ND2' HD13 ' A' ' 96' ' ' LEU . 39.8 m-20 -68.25 -24.2 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' HIS . 5.1 p -73.69 -56.71 4.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 66' ' ' ILE . 1.4 mp -47.49 -34.61 7.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.33 -4.97 6.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 110.343 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.633 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -130.7 -72.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.565 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.963 HG22 ' HB ' ' A' ' 32' ' ' VAL . 11.7 p -39.11 -53.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.774 HD23 ' HB3' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -71.89 -40.96 68.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.49 -40.71 27.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.528 HD11 ' NE2' ' A' ' 104' ' ' HIS . 54.8 mt -70.84 -45.5 73.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.079 ' HB2' HG11 ' A' ' 32' ' ' VAL . . . -37.39 -44.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 2.7 ttmt 91.28 24.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.692 ' CG2' HD13 ' A' ' 106' ' ' LEU . 32.3 m -84.26 17.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.502 ' CE2' HD11 ' A' ' 106' ' ' LEU . 5.7 m-85 -107.02 119.57 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.831 ' N ' HD11 ' A' ' 78' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 42' ' ' HIS . 9.9 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.559 0.219 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -73.0 133.17 44.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.01 HG21 ' CB ' ' A' ' 14' ' ' ASP . 1.4 mt -101.23 -155.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.728 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.1 OUTLIER 161.04 -26.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HG3' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -62.46 139.5 58.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.2 t-20 -59.3 -21.91 60.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.386 1.054 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB3' ' HG3' ' A' ' 11' ' ' LYS . . . -63.7 -67.34 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 1.01 ' CB ' HG21 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -58.56 -16.04 13.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -94.03 -20.61 19.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 tt0 -89.51 -53.19 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -42.63 -26.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.687 HG22 ' HD1' ' A' ' 33' ' ' TYR . 1.6 mt -90.65 -47.26 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.796 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 4.6 m-85 -68.52 -6.54 25.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -92.24 -79.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.24 -20.95 16.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 18' ' ' ILE . . . -49.96 177.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -139.75 126.3 20.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.573 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.565 ' HB3' ' CD1' ' A' ' 33' ' ' TYR . 85.7 p -115.31 157.37 23.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.049 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.726 HG22 HG23 ' A' ' 32' ' ' VAL . 30.7 m -130.01 124.89 59.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -115.1 137.1 52.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.215 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.739 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 1.2 p-10 -102.94 -59.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.739 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -130.8 -74.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.537 ' NE2' ' HB2' ' A' ' 93' ' ' MET . 0.0 OUTLIER -124.78 10.25 8.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.751 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.3 OUTLIER -120.65 125.17 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.18 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -117.53 104.19 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.022 HG12 HG12 ' A' ' 84' ' ' VAL . 16.4 m -91.9 125.14 44.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.796 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 1.4 m-85 -97.56 128.73 44.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.95 HG21 ' HB1' ' A' ' 109' ' ' ALA . 21.6 p -143.1 141.63 31.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.346 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.403 ' SG ' ' HA2' ' A' ' 22' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.747 ' HA ' ' HB2' ' A' ' 79' ' ' ALA . 22.3 m-70 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.62 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 20.7 p90 -55.13 112.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.56 ' CD ' HD11 ' A' ' 9' ' ' ILE . 23.9 mtt180 -90.39 -176.02 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.18 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -157.44 113.38 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.99 -60.4 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.538 HG23 ' HD3' ' A' ' 63' ' ' LYS . 19.9 mt 70.38 109.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 1.013 ' CB ' HG23 ' A' ' 85' ' ' ILE . 5.7 m -139.38 160.39 39.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.661 HG13 HD13 ' A' ' 53' ' ' LEU . 75.7 t -150.39 166.84 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.533 ' N ' HG12 ' A' ' 49' ' ' VAL . 2.3 t -94.72 165.44 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -103.54 2.77 33.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' LEU . 2.7 mttt -110.53 -14.66 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.661 HD13 HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -37.12 -73.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.98 -111.19 0.42 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -99.03 177.42 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.51 -25.27 65.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 p -50.86 -41.0 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.89 -44.22 61.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.436 ' CZ ' ' HB ' ' A' ' 49' ' ' VAL . 14.3 ttm-85 -66.72 -9.87 40.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.6 m-20 -97.2 -34.76 10.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 4.0 mttp -76.81 -37.12 56.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.035 HG21 ' HB2' ' A' ' 86' ' ' ALA . 88.4 mt -72.3 -26.66 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.568 ' CE ' HG22 ' A' ' 62' ' ' ILE . 11.0 mmpt? -96.89 -18.32 19.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 8.4 ttt180 -81.94 -66.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.762 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -47.26 -41.37 18.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.874 ' CD1' HD11 ' A' ' 102' ' ' LEU . 4.9 tp -67.05 -33.36 62.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -80.97 -2.13 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.75 -16.48 14.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -100.53 -27.33 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 1.18 ' CE2' HD21 ' A' ' 45' ' ' LEU . 1.4 m-85 -78.41 -40.44 35.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -66.44 -42.16 88.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 73' ' ' HIS . 7.7 p -69.93 -51.86 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.514 ' N ' HG13 ' A' ' 72' ' ' VAL . 73.4 m80 -84.3 13.37 5.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.576 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' PHE . 33.5 ttpt -52.08 -36.57 51.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.41 16.89 24.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.418 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -120.46 4.96 10.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.594 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.602 ' C ' HD13 ' A' ' 78' ' ' LEU . 1.3 mp -113.44 156.1 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.966 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -111.61 176.7 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.747 ' HB2' ' HA ' ' A' ' 42' ' ' HIS . . . -78.74 131.62 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 82' ' ' ILE . 1.2 mtpp 163.97 118.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -34.92 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.67 ' CG1' HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -111.06 124.54 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.771 HG22 HD11 ' A' ' 85' ' ' ILE . 23.0 mt -145.29 111.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.022 HG12 HG12 ' A' ' 32' ' ' VAL . 2.6 m -102.49 128.31 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.013 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -111.81 158.02 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.035 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -89.44 40.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER 37.59 -91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 86' ' ' ALA . 1.2 mt-30 -166.59 -59.04 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.01 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -49.42 -21.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.532 ' HA ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -55.55 -20.63 13.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -98.14 15.59 23.85 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.537 ' HB2' ' NE2' ' A' ' 29' ' ' GLN . 7.0 ttp -106.97 147.87 29.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.468 ' N ' ' HG2' ' A' ' 93' ' ' MET . 1.0 OUTLIER -115.51 150.75 36.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.904 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.2 m -47.41 -21.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.3 tm? -69.48 -38.59 77.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 94' ' ' THR . 23.3 mt-30 -80.45 -36.83 33.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 95' ' ' THR . 72.4 mt -48.46 -33.75 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -38.06 44.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -70.24 -43.31 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.433 ' O ' HG12 ' A' ' 105' ' ' VAL . 24.4 m -63.66 -49.72 72.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.874 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.2 OUTLIER -53.96 -31.25 50.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.86 -0.45 16.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 1.111 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -130.68 -74.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.599 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.801 HG22 HG22 ' A' ' 32' ' ' VAL . 9.7 p -35.51 -54.96 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.99 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.46 -41.83 88.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.621 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 8.6 tttt -48.38 -24.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.602 1.189 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.111 HD11 ' CE1' ' A' ' 104' ' ' HIS . 13.8 mt -87.66 -41.2 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.95 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -58.0 -38.97 77.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 74.0 34.67 0.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.99 HG22 HD13 ' A' ' 106' ' ' LEU . 28.5 m -90.66 7.28 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.792 ' CD1' HD11 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -137.06 119.81 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.72 ' N ' HD11 ' A' ' 78' ' ' LEU . 42.7 m-80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.924 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 17.8 m-85 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.44 0.162 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.55 138.84 40.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.831 HG23 ' HB2' ' A' ' 14' ' ' ASP . 7.2 mm -68.4 88.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -71.89 -45.4 61.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -89.54 136.28 33.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -64.44 -37.24 86.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.99 -50.19 28.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.831 ' HB2' HG23 ' A' ' 9' ' ' ILE . 67.6 m-20 -51.84 -32.99 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.746 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.54 -41.0 16.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 111.037 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 3.1 pt20 -66.26 -43.78 85.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -46.56 -36.7 7.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.532 HD12 HG13 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -75.88 -51.33 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.32 -14.03 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.15 -89.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' GLY . 14.0 mttt -126.87 14.96 7.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -51.13 -174.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -130.42 113.66 14.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.631 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.592 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 25.3 p -111.4 151.08 28.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.969 HG11 HG22 ' A' ' 108' ' ' ILE . 17.9 m -132.8 126.35 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -111.84 139.34 47.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.391 1.057 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.493 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 37.1 p-10 -120.14 -144.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -33.16 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.466 ' HG3' ' C ' ' A' ' 28' ' ' ARG . 0.6 OUTLIER -138.88 36.71 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.716 ' HB3' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -133.31 149.66 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.573 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -138.45 106.56 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.772 HG12 HG12 ' A' ' 84' ' ' VAL . 21.8 m -102.71 123.13 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.592 ' CD1' ' HB2' ' A' ' 24' ' ' SER . 3.2 m-85 -106.16 122.25 45.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.82 HG21 ' HB1' ' A' ' 109' ' ' ALA . 60.9 p -132.53 161.39 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.474 ' HB3' HG23 ' A' ' 18' ' ' ILE . 13.5 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 108.268 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.782 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 43.9 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.924 ' CE2' ' CE1' ' A' ' 7' ' ' TYR . 25.4 p90 47.92 153.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.505 ' HB3' HD13 ' A' ' 9' ' ' ILE . 40.8 mtm180 -143.34 99.05 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.378 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.854 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.64 137.74 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.474 ' C ' HD12 ' A' ' 47' ' ' ILE . . . -108.65 178.45 21.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.858 HG23 HG21 ' A' ' 66' ' ' ILE . 3.3 mp -139.56 109.9 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.909 ' CB ' HG23 ' A' ' 85' ' ' ILE . 40.4 m -126.31 161.06 28.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.929 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.672 HG13 HD13 ' A' ' 53' ' ' LEU . 77.7 t -146.59 167.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.533 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -93.45 170.49 9.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.77 -2.59 19.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -103.95 -14.76 15.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.68 HD21 HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.15 -78.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.613 1.196 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 58' ' ' LEU . . . 177.15 -109.09 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.487 ' N ' HD12 ' A' ' 58' ' ' LEU . 1.4 t30 -100.03 176.8 5.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.99 -24.34 66.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.94 -41.06 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.494 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 2.9 mt -69.9 -44.63 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.654 ' HG3' HG21 ' A' ' 49' ' ' VAL . 37.5 ttt180 -68.49 -8.26 39.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 1.4 m-20 -98.6 -29.02 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -34.75 22.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.087 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.857 HG21 ' HB2' ' A' ' 86' ' ' ALA . 85.3 mt -74.39 -39.72 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HG2' HG22 ' A' ' 47' ' ' ILE . 24.8 mttt -70.37 -58.64 3.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 12.4 ptp180 -49.15 -41.43 36.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.639 ' HB1' HG21 ' A' ' 98' ' ' ILE . . . -74.67 -28.11 60.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.858 HG21 HG23 ' A' ' 47' ' ' ILE . 6.4 mt -74.99 -33.13 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -96.85 10.8 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -121.05 -2.49 9.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.726 ' CB ' HD13 ' A' ' 102' ' ' LEU . 20.3 t-20 -96.54 -63.69 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.608 ' CE2' HG12 ' A' ' 77' ' ' ILE . 1.5 m-85 -57.63 -22.61 46.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -52.68 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.609 1.193 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 69' ' ' ASN . 2.5 m -75.01 -42.55 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.595 ' HA ' ' CG ' ' A' ' 76' ' ' HIS . 87.9 m-70 -78.56 6.57 8.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 70' ' ' PHE . 15.9 ttpt -47.5 -55.18 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.06 -1.05 18.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.595 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -103.15 -10.57 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.649 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.608 HG12 ' CE2' ' A' ' 70' ' ' PHE . 1.5 mp -98.67 152.2 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.834 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -120.02 148.49 43.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.075 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.497 ' HA ' ' N ' ' A' ' 43' ' ' PHE . . . -45.16 109.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -178.22 108.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -38.69 123.72 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.905 HD11 HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -140.61 156.73 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.824 ' N ' HD13 ' A' ' 82' ' ' ILE . 27.2 mt -154.4 107.11 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.905 HG13 HD11 ' A' ' 82' ' ' ILE . 10.3 m -90.03 110.08 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.909 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -109.86 163.26 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.857 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -115.53 107.19 14.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.619 1.2 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.696 ' CB ' ' HD2' ' A' ' 89' ' ' PRO . 5.4 mtp180 -53.92 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.672 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -78.63 -41.09 1.78 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.696 ' HD2' ' CB ' ' A' ' 87' ' ' ARG . 18.5 Cg_endo -74.9 4.71 4.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.752 . . . . 0.0 111.016 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.458 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -73.92 -11.82 60.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.93 -34.62 66.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -80.39 2.9 23.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.429 ' HB2' ' CD ' ' A' ' 29' ' ' GLN . 2.9 ttp -106.28 130.88 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' GLN . 5.0 p -99.94 153.38 19.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.424 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.2 m -46.23 -23.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.412 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -68.1 -41.25 82.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' THR . 25.2 mt-30 -80.35 -16.34 54.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.639 HG21 ' HB1' ' A' ' 65' ' ' ALA . 8.9 mt -65.34 -56.63 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -58.56 -25.99 63.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -90.4 -16.53 28.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' GLN . 17.3 m -89.8 -46.63 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.726 HD13 ' CB ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -53.38 -25.95 17.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.84 -0.01 14.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 110.247 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.629 ' CE1' HD11 ' A' ' 108' ' ' ILE . 1.1 t-80 -127.35 -75.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.733 HG22 HG22 ' A' ' 32' ' ' VAL . 4.6 p -38.78 -52.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.983 HD11 ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -67.79 -43.53 79.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -54.02 -22.01 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.969 HG22 HG11 ' A' ' 25' ' ' VAL . 2.6 mt -88.32 -33.84 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.82 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -55.18 -37.46 67.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.1 OUTLIER 94.1 19.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.913 HG22 HD13 ' A' ' 106' ' ' LEU . 2.8 m -97.27 29.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.983 ' CD2' HD11 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -132.02 113.42 13.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.834 ' N ' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.653 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 44.1 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.49 0.186 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -117.21 158.25 24.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.644 HD12 ' CG ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -57.17 111.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -40.93 72.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.588 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -155.39 163.16 40.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -45.13 -47.58 12.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.87 -47.75 21.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 1.6 m-20 -59.76 -30.6 68.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.876 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -82.07 -35.98 28.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' TYR . 1.3 mt-30 -67.16 -53.62 28.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 110.263 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -40.45 -28.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 1.028 HD12 HD11 ' A' ' 83' ' ' ILE . 1.4 mt -84.31 -48.5 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLN . 5.8 m-85 -62.96 -10.89 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -87.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -34.74 77.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 18' ' ' ILE . . . -61.42 143.96 48.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.465 ' CE1' ' OG1' ' A' ' 34' ' ' THR . 22.0 p80 -94.73 -154.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 0.73 . . . . 0.0 109.568 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.632 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 78.7 p -174.58 146.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.858 HG11 HG22 ' A' ' 108' ' ' ILE . 21.3 m -121.54 -141.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 159.64 136.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.675 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 6.9 p-10 -96.24 -78.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.675 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 28.2 mmt180 -123.66 -55.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 1.4 pm0 -132.6 -0.7 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -116.85 148.1 41.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.939 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -134.61 138.81 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.992 HG12 HG12 ' A' ' 84' ' ' VAL . 15.6 m -120.22 120.69 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.632 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 5.7 m-85 -95.81 117.65 30.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.924 HG21 ' HB1' ' A' ' 109' ' ' ALA . 70.4 p -125.56 158.64 34.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.7 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 108.28 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 p80 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.653 ' CZ ' ' CE1' ' A' ' 7' ' ' TYR . 11.2 p90 -102.21 94.59 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.69 ' O ' HG23 ' A' ' 82' ' ' ILE . 2.1 mtm-85 -54.75 137.1 45.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.02 HD11 ' CD2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -118.12 90.03 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.632 ' O ' HG23 ' A' ' 83' ' ' ILE . . . -112.59 133.01 11.09 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.788 HG21 ' HB2' ' A' ' 63' ' ' LYS . 4.8 mp -113.86 126.86 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.404 0.708 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.901 ' CB ' HG23 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -115.85 154.42 29.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.664 HG21 ' HB2' ' A' ' 59' ' ' ARG . 45.8 t -138.74 151.54 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -93.55 165.33 12.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.934 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -95.16 0.44 54.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.04 -19.91 14.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.959 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -41.66 -73.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.622 ' CA ' HD21 ' A' ' 58' ' ' LEU . . . 169.52 -110.74 0.39 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 -167.2 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -95.43 -22.08 17.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.66 -30.44 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 1.055 HD12 ' N ' ' A' ' 59' ' ' ARG . 1.2 pp -80.0 -33.54 39.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 1.055 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -75.06 -11.31 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.529 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -88.69 -36.3 16.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -82.07 -12.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.032 HD11 ' O ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -90.76 -33.98 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.788 ' HB2' HG21 ' A' ' 47' ' ' ILE . 7.4 tmtt? -89.58 -50.79 5.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.535 ' HA ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -58.23 -17.48 19.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.731 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -79.26 -51.04 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.935 HG12 HD21 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -65.5 -35.51 75.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -73.26 -7.16 50.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.24 -43.18 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 21.9 t-20 -71.09 -57.56 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 1.02 ' CD2' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -51.55 -16.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 110.962 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 67' ' ' ARG . 3.6 tptt -79.18 -29.86 43.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -95.44 -41.24 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.546 ' O ' HD13 ' A' ' 77' ' ' ILE . 75.3 m80 -81.71 6.85 14.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.11 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -49.01 -38.7 24.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.618 1.199 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.7 m -80.34 -18.48 48.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -87.92 -20.55 25.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 73' ' ' HIS . 1.3 mp -79.82 164.07 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.759 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -146.29 152.67 39.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.596 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -38.92 131.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.596 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 6.2 mttp 155.19 104.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -41.66 130.27 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.872 ' HB ' HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -143.1 149.91 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 1.028 HD11 HD12 ' A' ' 18' ' ' ILE . 5.1 mt -153.36 116.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.055 ' C ' HD13 ' A' ' 85' ' ' ILE . 16.5 m -94.72 130.87 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.055 HD13 ' C ' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -119.77 153.71 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -106.49 106.14 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.54 ' CB ' ' HD2' ' A' ' 89' ' ' PRO . 10.6 mtm180 -53.92 -168.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 1.9 mt-30 -75.12 -46.78 4.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.3 Cg_endo -75.06 6.6 3.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.566 1.824 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.032 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -89.8 -3.18 58.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.591 ' HA ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -75.48 -34.32 60.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -94.49 22.27 6.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.225 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.518 ' CE ' HG12 ' A' ' 98' ' ' ILE . 4.8 ttp -97.52 156.74 16.36 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.543 1.152 . . . . 0.0 111.068 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.444 ' N ' ' HG2' ' A' ' 93' ' ' MET . 0.8 OUTLIER -118.02 150.12 39.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.795 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.6 m -47.47 -22.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.66 -40.49 72.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 93' ' ' MET . 24.8 mt-30 -83.06 -10.67 58.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 95' ' ' THR . 24.4 mt -84.96 -44.01 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -75.17 -10.1 59.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -98.82 -12.15 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 105' ' ' VAL . 58.3 m -88.25 -45.41 10.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.935 HD21 HG12 ' A' ' 66' ' ' ILE . 1.4 mp -47.89 -44.46 29.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 107' ' ' LYS . 10.6 pt-20 -52.25 -22.63 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 1.084 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -115.73 -74.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.63 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.587 ' HB ' ' CG ' ' A' ' 27' ' ' ASN . 3.7 p -38.76 -52.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.864 HD21 ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -63.78 -43.48 96.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 104' ' ' HIS . 1.2 pttt -49.32 -33.7 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.084 HD11 ' CE1' ' A' ' 104' ' ' HIS . 18.6 mt -77.48 -33.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.924 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -52.48 -32.92 42.27 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.2 OUTLIER 84.82 17.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.872 HG11 ' HB ' ' A' ' 82' ' ' ILE . 5.4 m -95.03 27.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.864 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -124.87 104.82 8.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.667 ' H ' HD12 ' A' ' 78' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.55 ' CE2' ' CE1' ' A' ' 43' ' ' PHE . 9.5 m-85 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.47 0.176 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . 5.6 mtt180 -73.48 134.27 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.713 HG21 ' CG ' ' A' ' 15' ' ' PHE . 2.2 mm -49.81 93.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -81.65 -35.48 29.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.606 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -98.03 162.77 13.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' PHE . 6.6 m-20 -76.11 -50.78 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . . . -47.19 -51.95 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.493 ' HB3' HG23 ' A' ' 9' ' ' ILE . 8.7 m-20 -49.78 -26.3 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.735 ' HE1' HG21 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -94.59 -39.81 10.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.923 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 17' ' ' ARG . 1.9 pp0? -65.63 -34.37 78.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -60.97 -31.63 71.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.622 HG13 HD11 ' A' ' 83' ' ' ILE . 5.8 mm -74.33 -65.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -52.58 -18.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 10.68 9.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -47.63 159.97 0.48 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.449 ' NE2' ' CG1' ' A' ' 25' ' ' VAL . 7.3 t60 -112.11 103.05 11.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -83.23 152.18 25.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG22 HG23 ' A' ' 32' ' ' VAL . 24.6 m -142.72 125.91 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -121.22 134.45 55.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.836 ' ND2' ' H ' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -94.94 -58.16 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.836 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 5.8 mtp85 -128.37 -75.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.532 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -119.76 -4.62 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.881 ' HB3' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -100.42 155.6 17.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -145.81 105.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.997 HG12 HG12 ' A' ' 84' ' ' VAL . 34.0 m -98.66 134.29 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 24' ' ' SER . 18.4 m-85 -103.92 131.97 50.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.991 HG21 ' HB1' ' A' ' 109' ' ' ALA . 66.6 p -147.63 151.69 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 108.347 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 41.0 p90 -79.37 109.06 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.629 ' O ' HG23 ' A' ' 82' ' ' ILE . 40.9 mtm180 -81.68 108.82 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.625 HD21 ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -80.84 108.69 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 1.032 ' O ' HD13 ' A' ' 47' ' ' ILE . . . -115.27 147.0 18.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 1.032 HD13 ' O ' ' A' ' 46' ' ' GLY . 0.9 OUTLIER -139.25 137.77 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.996 ' CB ' HG23 ' A' ' 85' ' ' ILE . 1.2 m -142.4 -172.94 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 48' ' ' SER . 3.0 t -162.96 164.18 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.51 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 28.4 t -98.25 162.66 13.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.058 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.1 2.09 48.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -15.66 15.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.747 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -45.11 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.05 -109.4 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 t30 -81.03 -169.95 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 0.729 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . -106.75 -21.01 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -67.81 -32.95 58.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' A' ' 91' ' ' LYS . 1.4 pt? -81.47 -44.41 17.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.533 ' HB2' HG11 ' A' ' 49' ' ' VAL . 25.6 ptt180 -65.36 -11.87 46.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -84.56 -30.35 25.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -75.58 -31.57 60.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.889 HG21 ' HB2' ' A' ' 86' ' ' ALA . 65.4 mt -70.74 -26.36 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.711 ' HG2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -99.24 -38.7 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' ARG . 11.9 ttt180 -57.39 -67.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -39.67 -42.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.861 HG13 HG21 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -59.66 -47.71 90.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -70.5 -4.72 24.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -117.8 -2.46 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.759 ' OD1' HD22 ' A' ' 102' ' ' LEU . 16.4 t-20 -116.46 -43.91 2.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.625 ' CD2' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -77.01 1.13 18.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 111.055 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -82.51 -37.7 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.818 ' O ' ' HE1' ' A' ' 76' ' ' HIS . 3.0 m -82.49 -40.48 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.561 ' O ' HG13 ' A' ' 77' ' ' ILE . 57.5 m-70 -68.73 -4.38 15.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.635 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.486 ' HA ' HG13 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -66.19 -17.84 64.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.425 ' C ' ' ND1' ' A' ' 76' ' ' HIS . 5.7 t -94.21 21.91 6.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.947 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.818 ' HE1' ' O ' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -155.3 28.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.59 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.642 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -114.12 161.0 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -129.37 173.6 10.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -63.28 122.5 16.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.327 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 8.2 mttt 166.08 108.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 2.1 p30 -39.34 127.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -133.01 138.61 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.735 HG21 ' HE1' ' A' ' 15' ' ' PHE . 2.2 mt -152.88 116.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.065 ' C ' HD13 ' A' ' 85' ' ' ILE . 3.5 m -97.56 121.95 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.065 HD13 ' C ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -115.86 158.79 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.889 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -95.32 102.28 14.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.517 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 1.5 mmm180 -35.1 -70.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.626 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 168.85 -43.44 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.05 2.98 6.05 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.667 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -74.75 -25.44 59.09 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.936 ' HA ' HD12 ' A' ' 58' ' ' LEU . 23.2 pttt -40.59 -38.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -105.49 56.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.667 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 3.8 ttp -135.09 143.65 46.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.467 ' N ' ' HG2' ' A' ' 93' ' ' MET . 2.5 p -100.07 148.14 24.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.784 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.3 m -48.94 -23.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.4 -39.53 94.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -79.48 -16.74 55.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 95' ' ' THR . 92.6 mt -72.56 -63.86 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.77 -15.92 14.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -85.91 -35.86 20.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -80.65 -32.89 36.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.759 HD22 ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -53.62 -29.7 39.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.11 0.64 15.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.667 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -130.06 -73.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.881 HG21 ' HB3' ' A' ' 30' ' ' PHE . 1.3 p -39.72 -50.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.975 HD21 ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -72.89 -40.46 65.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -27.33 20.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.667 HD11 ' CE1' ' A' ' 104' ' ' HIS . 5.0 mt -83.77 -41.69 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.991 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -42.22 -31.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 tttt 78.45 35.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.691 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 33.9 m -101.39 4.37 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.975 ' CZ ' HD21 ' A' ' 106' ' ' LEU . 6.4 m-30 -116.24 122.87 46.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.675 ' N ' HD11 ' A' ' 78' ' ' LEU . 29.4 m-80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.584 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 45.2 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.496 0.189 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.7 156.33 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.746 HG22 ' N ' ' A' ' 10' ' ' LYS . 10.5 mt -94.16 -109.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.588 1.18 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.746 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 94.06 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 10.9 tttp -79.14 130.32 35.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.401 1.063 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' GLN . 14.3 t30 -57.27 -56.08 26.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.64 62.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.607 ' HB3' HG23 ' A' ' 9' ' ' ILE . 56.9 t0 -57.16 -17.9 13.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.63 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -102.2 -33.35 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -74.05 -37.14 64.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.6 -27.57 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.599 HD12 HD11 ' A' ' 83' ' ' ILE . 1.1 mt -89.72 -47.75 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -66.84 -9.52 38.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -61.03 -81.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 22' ' ' GLY . 1.3 mttp -132.81 14.45 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -47.73 176.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.418 1.074 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -115.73 107.82 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.614 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.669 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 82.5 p -95.18 157.43 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.713 ' CG2' HG23 ' A' ' 32' ' ' VAL . 28.1 m -144.42 124.78 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.369 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.29 138.94 49.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' CG ' ' ND1' ' A' ' 104' ' ' HIS . 6.5 t30 -96.61 -90.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 3.7 mtt180 -113.14 -59.4 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 90' ' ' ALA . 8.1 mt-30 -133.43 16.43 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.71 ' HZ ' HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -136.12 138.7 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.95 135.96 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.963 HG12 HG12 ' A' ' 84' ' ' VAL . 18.1 m -119.8 118.34 56.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.669 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 4.5 m-85 -98.89 119.34 37.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.42 1.075 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.807 HG21 ' HB1' ' A' ' 109' ' ' ALA . 4.4 p -143.99 168.84 19.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.416 ' C ' ' OD2' ' A' ' 81' ' ' ASP . 1.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 108.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.42 ' N ' ' HB1' ' A' ' 79' ' ' ALA . 1.8 p-80 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.935 ' CE2' HG21 ' A' ' 77' ' ' ILE . 17.9 p90 -101.26 65.64 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.514 ' CG ' HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -54.63 138.28 41.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.085 HD11 ' CD1' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -99.63 134.23 42.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.622 ' O ' HG23 ' A' ' 83' ' ' ILE . . . -115.75 98.22 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 66' ' ' ILE . 28.1 mm -77.22 115.22 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.877 ' CB ' HG23 ' A' ' 85' ' ' ILE . 5.2 m -126.77 164.34 21.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 48' ' ' SER . 8.8 t -161.81 147.81 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.53 ' H ' HD12 ' A' ' 53' ' ' LEU . 30.9 t -94.72 162.08 13.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.28 -0.58 56.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.39 -19.08 22.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 88' ' ' GLN . 2.1 mt -50.84 -77.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.535 ' HA3' ' CD1' ' A' ' 58' ' ' LEU . . . -176.93 -115.9 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -173.0 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.328 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.79 -23.1 42.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 p -62.09 -28.23 44.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.968 HD22 ' O ' ' A' ' 91' ' ' LYS . 12.9 mt -78.74 -39.97 34.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.709 ' HG2' HG21 ' A' ' 49' ' ' VAL . 5.1 tmm_? -72.0 -4.61 29.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 110.211 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -99.13 -22.89 15.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.487 ' HA ' ' CD ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -96.13 -27.78 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.974 HG21 ' HB2' ' A' ' 86' ' ' ALA . 78.0 mt -77.88 -29.46 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.511 ' CG ' ' N ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -84.8 -56.98 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.511 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 2.3 ptm85 -43.74 -44.98 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.604 ' CB ' HG21 ' A' ' 98' ' ' ILE . . . -50.31 -35.32 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.878 HD13 ' CG2' ' A' ' 84' ' ' VAL . 65.1 mt -75.94 -41.85 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -65.79 -11.17 43.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.463 ' OE2' ' CG2' ' A' ' 95' ' ' THR . 1.8 pt-20 -121.22 -3.41 9.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.8 ' OD1' HD13 ' A' ' 102' ' ' LEU . 15.9 t-20 -111.34 -42.0 4.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 1.085 ' CD1' HD11 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -86.7 3.99 42.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.34 2.61 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.637 ' CG1' ' O ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -104.06 -52.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.695 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 8.9 p80 -85.26 10.01 13.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.635 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 5.4 tttp -68.17 -7.44 30.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -86.48 -39.68 16.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.6 ' CE1' ' CB ' ' A' ' 73' ' ' HIS . 3.0 p-80 -99.65 14.17 31.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.613 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.935 HG21 ' CE2' ' A' ' 43' ' ' PHE . 1.3 tp -75.29 158.16 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.884 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.3 143.74 51.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -60.65 134.66 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER 162.24 118.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -33.55 111.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.362 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.621 HG13 HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -127.04 151.13 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.63 HD13 ' CE1' ' A' ' 15' ' ' PHE . 29.8 mt -155.2 129.98 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.963 HG12 HG12 ' A' ' 32' ' ' VAL . 15.9 m -116.05 109.36 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.877 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -113.93 159.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.974 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -92.85 126.34 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.481 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 9.1 tpt180 -42.84 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.569 ' O ' HD23 ' A' ' 53' ' ' LEU . 2.5 mt-30 -172.76 -57.09 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.0 Cg_endo -75.12 5.63 3.92 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.554 1.818 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.936 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -90.03 22.18 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.968 ' O ' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -73.8 -37.77 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.244 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 5.8 m-20 -99.18 44.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.936 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -95.86 -162.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.522 ' O ' HD12 ' A' ' 98' ' ' ILE . 24.3 p -152.49 148.54 27.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.463 ' CG2' ' OE2' ' A' ' 68' ' ' GLU . 1.3 m -44.87 -23.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -77.58 -47.33 19.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 94' ' ' THR . 1.4 mm-40 -55.14 -50.99 67.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.757 ' CG2' HD12 ' A' ' 102' ' ' LEU . 3.5 mp -48.05 -37.69 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 95' ' ' THR . 0.2 OUTLIER -70.42 -36.93 74.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -72.45 -14.33 61.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -101.17 -49.56 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.8 HD13 ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -53.5 -27.92 28.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -0.23 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.921 ' NE2' HD11 ' A' ' 108' ' ' ILE . 1.1 t-160 -132.7 -71.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.613 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 32' ' ' VAL . 9.9 p -39.27 -52.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 1.069 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -64.57 -43.39 94.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.688 ' HA ' ' CZ ' ' A' ' 112' ' ' PHE . 9.0 tttt -48.57 -26.41 2.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.921 HD11 ' NE2' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -83.76 -34.44 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.807 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -64.45 -36.55 84.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 1.182 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.65 52.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.069 HG22 HD13 ' A' ' 106' ' ' LEU . 21.2 m -107.94 -8.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.915 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -112.27 106.17 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.71 ' CG ' HD12 ' A' ' 78' ' ' LEU . 42.5 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 4.2 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.563 0.22 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -94.33 165.19 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.689 HG21 ' CE1' ' A' ' 15' ' ' PHE . 14.0 mm -114.88 113.11 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -43.04 -26.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 88.89 -13.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.8 t30 -122.0 -90.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 12' ' ' ASN . . . -48.92 -52.03 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 3.8 m-20 -56.43 -20.21 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.689 ' CE1' HG21 ' A' ' 9' ' ' ILE . 1.5 m-85 -98.17 -30.69 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.4 pp0? -77.14 -37.01 54.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -65.52 -11.47 43.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 33' ' ' TYR . 2.8 mm -91.92 -55.41 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.782 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 7.2 m-85 -61.91 -16.01 47.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -131.34 14.81 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.379 1.05 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.15 169.92 42.34 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.522 1.138 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -119.89 105.42 11.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.727 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.673 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 79.1 p -86.08 156.59 20.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.587 ' CG2' HG23 ' A' ' 32' ' ' VAL . 34.7 m -142.18 125.03 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.67 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -120.72 137.87 54.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.595 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 1.2 p-10 -87.12 -88.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.482 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 3.1 mtt180 -122.55 -43.58 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.929 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 1.2 pp0? -144.75 36.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.679 ' HE2' HD11 ' A' ' 66' ' ' ILE . 15.6 t80 -161.64 139.11 8.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.771 HG23 HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -127.99 144.1 38.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.838 HG12 HG12 ' A' ' 84' ' ' VAL . 15.1 m -131.75 105.04 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.782 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 5.7 m-85 -80.79 124.35 28.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.91 HG21 ' HB1' ' A' ' 109' ' ' ALA . 40.3 p -141.97 150.05 40.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.463 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 34' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 108.273 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.556 ' N ' ' HB1' ' A' ' 79' ' ' ALA . 6.6 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 49.7 p90 -109.13 118.02 35.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -110.55 78.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.91 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -83.38 119.85 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.536 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -102.55 -174.24 27.09 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 63' ' ' LYS . 15.7 mt -135.77 113.74 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.908 ' HB3' HG23 ' A' ' 85' ' ' ILE . 3.2 m -133.01 161.16 35.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.783 HG12 HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -123.08 -158.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.453 ' HB3' HD12 ' A' ' 53' ' ' LEU . 15.3 t -106.89 174.57 5.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.938 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -1.66 55.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -110.77 -20.49 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.783 HD13 HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -79.81 -104.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' N ' HD21 ' A' ' 58' ' ' LEU . . . 49.97 98.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.642 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -171.0 -178.87 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.226 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' O ' ' ND2' ' A' ' 60' ' ' ASN . . . -101.69 -21.83 14.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.51 -32.94 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 59' ' ' ARG . 3.9 pp -83.85 -44.47 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.825 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.6 -3.5 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.6 m-20 -100.94 -14.9 17.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.97 -8.1 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.841 HD11 ' O ' ' A' ' 90' ' ' ALA . 58.0 mt -107.36 -25.66 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HE2' HG21 ' A' ' 47' ' ' ILE . 10.0 mtpt -102.19 -30.99 10.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 9.1 ttt180 -62.07 -70.47 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB3' HG12 ' A' ' 98' ' ' ILE . . . -54.73 -32.11 59.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.822 HD13 ' O ' ' A' ' 62' ' ' ILE . 1.6 mp -66.28 -41.05 88.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.19 1.76 34.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 10.1 tt0 -119.84 -0.86 10.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.563 ' O ' HG22 ' A' ' 72' ' ' VAL . 10.0 t-20 -98.16 -60.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.621 ' CE2' HG12 ' A' ' 77' ' ' ILE . 1.5 m-85 -68.47 -16.01 63.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -44.43 76.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 69' ' ' ASN . 3.7 m -77.9 -42.06 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.579 ' HA ' ' CG ' ' A' ' 76' ' ' HIS . 94.6 m-70 -80.01 6.52 11.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 43' ' ' PHE . 14.9 ttmt -50.48 -45.22 56.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.45 8.95 10.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.579 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -109.99 -36.54 5.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.666 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.628 ' C ' HD13 ' A' ' 78' ' ' LEU . 1.5 mp -72.28 143.92 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.968 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -108.54 171.26 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.556 ' HB1' ' N ' ' A' ' 42' ' ' HIS . . . -59.29 115.09 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 1.1 tttp 177.2 113.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -47.22 103.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.883 HD13 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -110.76 159.36 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.357 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.883 ' N ' HD13 ' A' ' 82' ' ' ILE . 3.0 mt -160.74 112.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.838 HG12 HG12 ' A' ' 32' ' ' VAL . 10.8 m -94.17 118.61 40.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.908 HG23 ' HB3' ' A' ' 48' ' ' SER . 0.6 OUTLIER -119.32 150.68 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 49' ' ' VAL . . . -88.15 129.59 35.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.646 1.216 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.512 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -53.57 -69.13 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.215 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.521 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 170.29 -50.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.22 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.5 Cg_endo -74.94 2.07 7.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.929 ' HB2' ' HB2' ' A' ' 29' ' ' GLN . . . -89.63 43.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.531 ' HA ' HD21 ' A' ' 53' ' ' LEU . 60.2 tttt -90.72 -46.88 7.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -96.63 29.48 2.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.898 ' HE3' ' HB1' ' A' ' 90' ' ' ALA . 2.7 ptp -63.18 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.779 ' O ' HD12 ' A' ' 98' ' ' ILE . 27.9 p -156.8 147.19 21.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.747 ' HA ' HD13 ' A' ' 98' ' ' ILE . 1.4 m -45.53 -20.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.976 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -83.51 -48.68 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' CG ' ' OG1' ' A' ' 94' ' ' THR . 3.8 mm-40 -46.05 -37.26 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 94' ' ' THR . 4.7 mp -57.54 -69.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 96' ' ' LEU . 4.8 pt20 -59.02 -16.19 17.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.408 ' ND2' HD11 ' A' ' 96' ' ' LEU . 1.3 t-20 -80.41 -31.1 37.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 104' ' ' HIS . 11.9 p -91.18 -54.81 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.045 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.614 ' HB3' HD23 ' A' ' 106' ' ' LEU . 0.4 OUTLIER -47.11 -34.14 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -1.78 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.255 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.809 ' NE2' HD11 ' A' ' 108' ' ' ILE . 1.9 t-160 -136.91 -74.29 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.693 HG22 HG22 ' A' ' 32' ' ' VAL . 4.4 p -42.04 -41.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.775 HD21 ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -76.05 -41.08 51.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -52.35 -31.54 33.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.809 HD11 ' NE2' ' A' ' 104' ' ' HIS . 24.7 mt -82.15 -42.73 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.91 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -37.74 -31.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 32.2 tttt 86.79 15.23 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.22 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 7.2 m -91.72 29.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.775 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -136.88 123.05 20.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.981 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.507 ' N ' HD11 ' A' ' 78' ' ' LEU . 1.5 p-10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 42' ' ' HIS . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.509 0.195 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.38 124.57 51.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.775 HG23 ' HB3' ' A' ' 14' ' ' ASP . 31.1 mt -81.6 98.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -112.81 5.89 17.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.26 149.6 23.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' GLN . 71.9 m-20 -69.65 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.33 -48.15 25.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.775 ' HB3' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -54.93 -32.19 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -85.97 -34.79 20.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.4 OUTLIER -72.33 -47.8 46.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.15 -25.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.531 HD11 ' OD2' ' A' ' 81' ' ' ASP . 4.8 mm -87.07 -49.29 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.752 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 5.2 m-85 -71.85 -2.33 17.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 111.056 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -103.91 -86.6 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -80.79 -25.22 38.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 18' ' ' ILE . . . -59.45 167.23 8.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.56 1.163 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -130.89 108.05 9.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.583 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.598 ' HB3' ' CD2' ' A' ' 33' ' ' TYR . 52.4 p -93.02 155.98 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.626 HG11 HG22 ' A' ' 108' ' ' ILE . 27.7 m -136.42 135.14 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HA ' HG23 ' A' ' 105' ' ' VAL . . . -121.95 138.3 54.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.646 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 4.6 p-10 -90.0 -82.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.646 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 5.9 mmt180 -123.1 -52.12 1.87 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -131.43 6.01 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.643 ' HB3' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -113.98 153.02 30.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.918 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -146.84 110.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.062 HG12 HG12 ' A' ' 84' ' ' VAL . 15.9 m -104.2 120.48 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.752 ' CD2' ' CD1' ' A' ' 19' ' ' TYR . 8.9 m-85 -98.5 110.55 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.629 HG22 ' HA ' ' A' ' 82' ' ' ILE . 73.1 p -129.67 170.82 13.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.339 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.607 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 54.8 p90 -64.99 113.69 4.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 80' ' ' LYS . 10.8 mtm180 -72.53 95.03 1.75 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.879 HD21 ' CD2' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -80.15 97.28 6.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.25 144.44 15.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.1 mt -132.0 133.53 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.759 . . . . 0.0 109.21 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.998 ' CB ' HG23 ' A' ' 85' ' ' ILE . 3.1 m -138.33 163.43 31.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' ' 59' ' ' ARG . 2.2 t -148.55 173.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.548 ' H ' HG12 ' A' ' 49' ' ' VAL . 29.8 t -114.37 161.77 17.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -96.29 1.43 52.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -98.66 -14.47 19.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.986 HD23 ' HB3' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -35.69 -68.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.65 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . 166.38 -37.95 0.25 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -172.36 170.65 4.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.32 71.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.218 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 p -67.06 -26.33 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.986 ' HB3' HD23 ' A' ' 53' ' ' LEU . 95.7 mt -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.604 ' HB3' HG11 ' A' ' 49' ' ' VAL . 14.3 mtm180 -71.14 -7.89 49.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -95.48 -33.51 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.244 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -69.25 -41.23 77.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 1.045 HG21 ' HB2' ' A' ' 86' ' ' ALA . 2.0 mt -69.12 -28.29 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.231 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 66' ' ' ILE . 20.0 tttt -86.05 -63.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 10.7 ptp180 -38.27 -44.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.627 ' CB ' HD13 ' A' ' 98' ' ' ILE . . . -69.41 -45.28 69.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.739 ' CD1' HG21 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -58.06 -27.01 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.58 -1.22 57.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.06 -35.83 8.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 71' ' ' LYS . 5.1 t-20 -75.27 -64.95 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.982 ' CZ ' HD11 ' A' ' 82' ' ' ILE . 1.8 m-85 -45.93 -21.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER -59.11 -49.17 78.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 69' ' ' ASN . 3.1 m -80.91 -40.79 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' HIS . 81.0 m80 -73.47 -2.54 22.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' PHE . 1.5 ttpm? -47.29 -25.45 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.52 -23.76 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 73' ' ' HIS . 0.4 OUTLIER -72.41 -33.15 66.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.575 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.644 ' C ' HD13 ' A' ' 78' ' ' LEU . 1.5 mp -72.43 154.02 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.968 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -138.89 160.28 40.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -48.83 145.8 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.594 ' HD2' HD23 ' A' ' 78' ' ' LEU . 26.9 mttt 155.79 -107.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.531 ' OD2' HD11 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -170.66 95.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.982 HD11 ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -112.99 130.96 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' TYR . 4.1 mt -151.5 110.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.069 ' C ' HD13 ' A' ' 85' ' ' ILE . 10.1 m -100.14 124.27 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.069 HD13 ' C ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -114.03 153.85 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 1.045 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -89.75 96.89 10.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -32.3 -69.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.52 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.8 OUTLIER 168.02 -50.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -74.96 6.88 3.11 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.542 1.811 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.714 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -85.35 3.28 40.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.761 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.71 -31.3 64.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.45 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 3.4 m-20 -83.59 -16.06 46.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.714 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -58.31 177.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.784 ' O ' HD12 ' A' ' 98' ' ' ILE . 64.4 p -123.09 166.79 14.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.425 ' HA ' HD13 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -64.59 -8.35 13.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.49 -44.87 6.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.496 ' CB ' ' HG2' ' A' ' 93' ' ' MET . 1.5 mm-40 -49.05 -42.05 37.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.784 HD12 ' O ' ' A' ' 94' ' ' THR . 1.1 mp -39.97 -60.15 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -54.18 -36.56 63.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 97' ' ' GLN . 2.0 m-20 -68.58 -33.6 74.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 1.1 m -71.62 -53.05 14.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.6 OUTLIER -54.21 -20.22 6.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -2.68 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.593 ' CE1' HD11 ' A' ' 108' ' ' ILE . 1.2 t-80 -135.72 -74.98 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.532 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.742 HG22 HG22 ' A' ' 32' ' ' VAL . 4.1 p -37.95 -52.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.955 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -69.36 -44.33 71.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.674 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 1.8 tttt -51.17 -22.05 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.626 HG22 HG11 ' A' ' 25' ' ' VAL . 3.5 mt -90.91 -44.51 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.836 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -52.07 -41.23 62.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 29.7 tttt 81.07 32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.955 HG22 HD13 ' A' ' 106' ' ' LEU . 27.7 m -90.34 20.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.674 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 2.8 p90 -137.83 125.23 21.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.548 ' CB ' ' CE2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.525 0.202 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.19 86.28 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.775 HG21 ' HD1' ' A' ' 15' ' ' PHE . 57.5 mt -70.06 105.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -103.77 5.04 35.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -168.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' PHE . 33.5 m-20 -111.47 -44.02 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . . . -48.07 -42.99 30.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HB2' HG23 ' A' ' 9' ' ' ILE . 20.5 m-20 -57.64 -30.7 65.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.775 ' HD1' HG21 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -86.55 -41.14 14.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 13' ' ' ALA . 4.4 pt20 -62.69 -39.47 94.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.97 -26.21 64.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 110.234 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.487 HD12 ' CD1' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -76.98 -59.25 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -59.87 -14.28 14.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.02 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -123.36 3.86 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.14 164.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.7 t-80 -117.27 99.55 7.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 0.763 . . . . 0.0 109.598 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.7 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 92.5 p -88.67 154.82 20.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.664 HG22 HG23 ' A' ' 32' ' ' VAL . 17.9 m -131.73 -155.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 167.81 131.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.734 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 1.1 p-10 -100.05 -59.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.077 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.734 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 32.9 mtm-85 -130.03 -74.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.552 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -122.38 -4.52 8.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.764 ' CZ ' HG23 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -105.18 134.62 47.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG22 HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -125.6 117.85 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.076 ' CG1' HG12 ' A' ' 84' ' ' VAL . 19.0 m -99.24 119.08 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.743 ' CD1' ' CD1' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -95.87 117.69 31.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.497 HG21 ' HB1' ' A' ' 109' ' ' ALA . 33.9 p -123.12 167.7 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 108.28 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CE2' ' CB ' ' A' ' 7' ' ' TYR . 37.0 p90 -109.17 -175.06 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 2.0 mtt-85 -135.09 104.36 5.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.706 ' CD2' ' CE1' ' A' ' 70' ' ' PHE . 12.0 mt -91.31 101.29 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 83' ' ' ILE . . . -124.38 148.04 16.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.567 HG13 HG21 ' A' ' 66' ' ' ILE . 4.5 mp -112.84 136.09 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.792 ' HB3' HG23 ' A' ' 85' ' ' ILE . 1.2 m -135.79 147.39 48.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.823 HG21 ' HG3' ' A' ' 59' ' ' ARG . 87.6 t -134.91 167.89 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 49' ' ' VAL . 29.3 t -95.72 163.13 13.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.939 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -101.19 1.27 38.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -104.53 -19.62 13.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.787 HD22 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -37.57 -66.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.703 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 164.15 -109.32 0.37 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.698 ' O ' HD11 ' A' ' 58' ' ' LEU . 9.0 t30 -88.03 -158.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.72 -21.67 14.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.36 -36.38 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.838 HD12 ' N ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -76.71 -21.51 55.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.838 ' N ' HD12 ' A' ' 58' ' ' LEU . 31.2 ttt180 -90.6 -8.98 48.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.265 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -92.23 -30.73 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.545 ' O ' HD13 ' A' ' 98' ' ' ILE . 2.2 ttpt -76.21 -35.96 58.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.918 HG21 ' HB2' ' A' ' 86' ' ' ALA . 13.8 mt -68.48 -34.63 66.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.547 ' HG3' HG21 ' A' ' 47' ' ' ILE . 11.3 tttt -87.99 -43.06 12.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 6.3 ttt85 -46.84 -61.85 1.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.854 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -51.18 -50.29 59.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.747 HD13 HG23 ' A' ' 84' ' ' VAL . 95.2 mt -51.55 -52.68 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -8.24 31.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 15.4 tt0 -109.8 -3.68 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.525 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 20.7 t-20 -118.43 -9.48 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.706 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -97.52 -10.72 24.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.74 2.73 30.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.58 HG23 ' N ' ' A' ' 73' ' ' HIS . 8.5 m -97.08 -55.49 6.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.768 ' CD2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -101.49 18.38 20.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.582 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 1.9 tttt -49.92 -22.36 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.6 m -89.12 -28.4 20.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.652 ' CD2' ' HB2' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -77.23 -19.52 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.768 HD11 ' CD2' ' A' ' 73' ' ' HIS . 1.2 mp -81.07 133.59 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -104.2 -179.44 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -52.13 -176.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 6.4 mttm 91.64 119.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.416 ' HA ' ' HB2' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -49.71 154.84 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.714 ' HB ' HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -159.06 143.2 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.728 HG22 HG13 ' A' ' 85' ' ' ILE . 20.7 mt -157.38 104.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 1.076 HG12 ' CG1' ' A' ' 32' ' ' VAL . 27.6 m -85.43 89.5 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.792 HG23 ' HB3' ' A' ' 48' ' ' SER . 0.9 OUTLIER -82.66 158.35 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.918 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -96.05 104.34 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.519 ' C ' ' CG ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -35.16 -84.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.519 ' CG ' ' C ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -164.41 -56.77 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.519 ' HD2' ' H ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.0 9.52 2.0 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.632 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -79.5 12.73 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 2.9 pttp -84.42 -37.94 20.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.447 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.4 m-20 -76.07 -2.33 30.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.596 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -68.39 -170.04 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 93' ' ' MET . 6.7 p -154.84 156.69 36.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.583 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.4 m -47.71 -20.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.562 ' C ' HD13 ' A' ' 96' ' ' LEU . 2.6 tm? -78.95 -48.89 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.455 ' HG3' ' OG1' ' A' ' 94' ' ' THR . 39.0 mt-30 -64.73 -50.43 66.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.854 HG21 ' HB3' ' A' ' 65' ' ' ALA . 10.6 mt -43.77 -28.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.443 ' HG2' HD21 ' A' ' 69' ' ' ASN . 70.6 mt-30 -86.73 -40.36 15.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLN . 29.9 m-20 -68.86 -19.13 64.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.41 ' O ' HG12 ' A' ' 105' ' ' VAL . 55.2 m -71.46 -56.33 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 98' ' ' ILE . 0.7 OUTLIER -49.8 -22.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -5.37 24.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 1.073 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -140.04 -71.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.672 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 30' ' ' PHE . 9.9 p -36.15 -52.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.996 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -65.39 -43.87 89.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.804 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 24.4 mttt -49.27 -21.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.073 HD11 ' CE1' ' A' ' 104' ' ' HIS . 6.7 mt -90.46 -38.81 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.875 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -58.98 -40.63 85.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.446 ' CG ' ' C ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 81.2 38.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.996 HG22 HD13 ' A' ' 106' ' ' LEU . 18.1 m -104.39 23.5 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.804 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 0.5 OUTLIER -145.31 121.15 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.743 ' N ' HD11 ' A' ' 78' ' ' LEU . 73.2 m-80 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.594 1.184 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.841 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 41.0 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.525 0.203 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -78.5 111.74 14.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.6 HD11 ' HB2' ' A' ' 44' ' ' ARG . 15.6 mt -89.46 101.81 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.6 4.57 35.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -113.96 156.54 23.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' PHE . 1.8 t-20 -83.58 -47.47 11.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.51 -45.41 26.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.587 ' CB ' HG23 ' A' ' 9' ' ' ILE . 21.9 m-20 -54.49 -32.47 57.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -87.06 -39.32 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -39.1 81.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -26.46 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.667 ' N ' HD13 ' A' ' 18' ' ' ILE . 1.3 mm -79.58 -58.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.733 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 5.7 m-85 -58.4 -14.82 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.38 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 14.71 5.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.31 176.01 5.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -129.79 103.73 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.489 0.758 . . . . 0.0 109.648 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.506 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 70.9 p -95.13 137.49 34.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.656 HG11 HG22 ' A' ' 108' ' ' ILE . 27.1 m -114.81 128.7 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -116.19 138.7 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.563 ' ND2' ' CD2' ' A' ' 104' ' ' HIS . 41.2 t30 -119.15 -142.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 27' ' ' ASN . 40.2 mmt180 -33.54 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.963 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -139.55 30.09 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.546 ' CE2' ' HB ' ' A' ' 84' ' ' VAL . 3.5 t80 -127.42 147.94 50.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.684 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -136.99 109.24 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.553 HG21 ' O ' ' A' ' 105' ' ' VAL . 26.9 m -106.54 126.7 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.733 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 3.8 m-85 -93.57 134.5 35.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 1.082 HG21 ' HB1' ' A' ' 109' ' ' ALA . 29.9 p -157.0 147.4 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 1.9 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 108.296 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.841 ' CZ ' ' CZ ' ' A' ' 7' ' ' TYR . 39.7 p90 -64.08 96.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.6 ' HB2' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -71.37 128.21 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.95 ' CD2' HD12 ' A' ' 82' ' ' ILE . 13.9 mt -102.08 128.82 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.544 ' HA3' ' CE1' ' A' ' 15' ' ' PHE . . . -112.41 -54.47 0.48 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.45 HG23 HD13 ' A' ' 66' ' ' ILE . 45.1 mt 66.78 129.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 0.787 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.904 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.6 m -148.74 160.89 42.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 48' ' ' SER . 3.0 t -167.08 165.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.551 ' H ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -92.19 166.35 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -92.76 -13.36 29.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.92 -14.47 14.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.986 HD13 ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -114.49 -12.44 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.541 ' HA3' ' CG1' ' A' ' 49' ' ' VAL . . . -109.56 36.46 4.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.045 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.565 ' N ' ' HB2' ' A' ' 58' ' ' LEU . 41.0 t30 -41.86 167.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.99 -32.65 54.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -33.3 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.565 ' HB2' ' N ' ' A' ' 55' ' ' ASN . 17.5 mt -75.39 -45.34 39.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -67.44 -3.1 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 2.0 m-20 -103.67 -17.82 14.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -106.63 -18.87 13.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.41 HG21 ' HB2' ' A' ' 86' ' ' ALA . 30.3 mt -94.12 -37.34 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -76.2 -41.78 48.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.524 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 9.1 ptm180 -64.05 -44.36 92.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.524 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -68.85 -9.52 51.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.624 HG12 HG21 ' A' ' 84' ' ' VAL . 15.0 mt -99.95 -29.85 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.209 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.3 -0.97 56.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.401 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -117.81 -0.85 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.616 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 2.2 t-20 -116.47 1.58 12.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.615 ' HZ ' HD11 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -110.07 -39.49 5.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.919 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -74.14 -4.73 37.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.476 HG23 ' CD2' ' A' ' 73' ' ' HIS . 11.7 m -113.23 -43.66 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 43.5 m-70 -71.32 -17.56 62.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -58.87 -20.15 48.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 0.4 OUTLIER -85.43 33.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.023 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.616 ' NE2' ' CE1' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -178.88 -28.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.621 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.565 HD13 ' HB3' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -60.18 137.89 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.846 HD23 ' HD2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -115.34 174.49 5.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.614 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -53.14 -167.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.846 ' HD2' HD23 ' A' ' 78' ' ' LEU . 37.3 mttt 96.28 118.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 1.4 p30 -39.66 126.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.95 HD12 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -137.71 139.04 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.585 HG21 ' CE2' ' A' ' 15' ' ' PHE . 1.1 mt -153.53 119.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.624 HG21 HG12 ' A' ' 66' ' ' ILE . 11.4 m -99.34 115.07 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.901 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -120.31 150.85 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.505 ' CB ' HD11 ' A' ' 53' ' ' LEU . . . -82.07 109.2 16.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.508 ' N ' HG12 ' A' ' 31' ' ' VAL . 16.2 tpt85 -31.81 -70.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.567 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 164.31 -47.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.02 7.26 2.95 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.963 ' HB2' ' HB2' ' A' ' 29' ' ' GLN . . . -87.42 19.8 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.656 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -88.34 3.85 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -147.78 46.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.798 ' HE1' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -127.37 -172.62 2.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 97' ' ' GLN . 8.6 p -134.07 150.51 51.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.823 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.5 m -43.74 -24.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.8 tm? -65.9 -43.22 88.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.217 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' THR . 34.2 mt-30 -69.84 -24.75 63.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 95' ' ' THR . 61.9 mt -72.65 -53.83 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -35.28 72.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -68.51 -22.77 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 105' ' ' VAL . 21.6 p -90.72 -55.64 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.831 ' O ' HD23 ' A' ' 106' ' ' LEU . 2.0 mt -48.58 -34.32 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -6.6 22.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.35 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' HIS . . . . . 0.725 ' CE1' ' CD1' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -134.7 -68.7 0.53 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.553 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -42.07 -39.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.831 HD23 ' O ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -81.54 -37.44 27.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' HIS . 6.3 tmtt? -55.32 -34.99 64.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.725 ' CD1' ' CE1' ' A' ' 104' ' ' HIS . 37.4 mt -79.91 -34.18 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 1.082 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -39.8 -29.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 4.1 tptt 90.37 11.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.782 ' CG2' HD12 ' A' ' 106' ' ' LEU . 15.1 m -91.19 30.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.595 1.184 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.705 ' CE1' HD11 ' A' ' 106' ' ' LEU . 1.8 m-85 -130.34 122.87 28.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.834 ' N ' HD11 ' A' ' 78' ' ' LEU . 4.1 p30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.229 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 tpp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.559 0.219 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.527 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -129.85 -174.72 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.107 HD21 ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -104.28 170.44 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.607 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 6.9 tt0 -120.01 -146.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.6 OUTLIER -70.39 -2.82 14.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.738 ' HB1' ' CG ' ' A' ' 42' ' ' HIS . . . -44.89 -37.6 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 1.107 ' CE2' HD21 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -90.46 25.74 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -129.24 170.44 13.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' CD1' HD11 ' A' ' 83' ' ' ILE . 37.4 mt -135.62 114.08 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -131.13 6.3 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -174.83 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.3 p30 -95.95 -48.18 5.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.13 -38.51 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.441 ' CB ' HG23 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -68.54 -25.41 64.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.41 -28.14 17.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -80.34 -33.78 37.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.25 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -42.55 -73.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -47.24 -55.24 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 3.2 m-85 -57.53 -13.53 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.19 -79.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 -3.38 10.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -48.73 158.39 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' THR . 14.1 t60 -104.55 100.93 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.55 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.561 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . 35.1 p -93.15 154.1 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.73 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 13.3 m -128.89 -142.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 160.38 128.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.69 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 9.6 p30 -87.78 -87.87 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.69 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 10.5 ptp180 -122.65 -46.11 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.39 13.15 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.702 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -135.61 137.39 41.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -126.75 146.17 33.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.1 HG12 HG12 ' A' ' 84' ' ' VAL . 15.3 m -127.77 128.19 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 24' ' ' SER . 6.3 m-85 -106.89 130.12 54.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 29.7 p -140.84 165.2 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.406 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 12.9 t -146.4 155.17 42.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.444 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 14.8 m-20 48.75 95.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ASN . 6.8 m120 -38.76 -37.86 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -169.81 73.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.569 ' C ' HD13 ' A' ' 40' ' ' ILE . 1.5 tt0 -133.64 27.77 3.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.569 HD13 ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -130.96 -161.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -146.85 13.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.738 ' CG ' ' HB1' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -166.9 121.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CG ' HG22 ' A' ' 77' ' ' ILE . 4.4 p90 -67.54 88.82 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' HB3' ' CG1' ' A' ' 9' ' ' ILE . 2.6 mtm180 -51.7 93.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.726 HD21 ' CD2' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -77.4 137.06 38.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.433 ' H ' HD23 ' A' ' 45' ' ' LEU . . . -143.85 161.61 27.79 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.455 ' CG2' ' HG2' ' A' ' 63' ' ' LYS . 5.3 mt -136.6 127.57 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 1.013 ' CB ' HG23 ' A' ' 85' ' ' ILE . 9.3 m -143.16 148.02 35.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.852 HG22 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -137.22 179.15 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 49' ' ' VAL . 4.8 t -100.26 170.53 8.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -104.05 1.97 31.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 53' ' ' LEU . 13.5 mttt -110.57 -15.21 13.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.008 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -35.95 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.922 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . 172.86 -110.93 0.36 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -100.89 179.16 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . -67.53 -24.31 65.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.71 -26.29 30.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.008 HD13 ' HB2' ' A' ' 91' ' ' LYS . 97.8 mt -81.94 -44.27 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.773 ' HB2' HG11 ' A' ' 49' ' ' VAL . 2.7 ptm180 -71.98 -5.03 32.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -95.25 -56.67 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.484 ' C ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -47.71 -46.16 29.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.008 ' CD1' HD21 ' A' ' 53' ' ' LEU . 4.9 mt -62.01 -24.27 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' ASN . 64.1 mttt -89.76 -58.04 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 67' ' ' ARG . 2.5 mtp180 -49.71 -67.87 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 95' ' ' THR . . . -42.95 -28.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.871 HD13 ' O ' ' A' ' 62' ' ' ILE . 1.0 OUTLIER -83.45 -41.09 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -70.42 -9.8 57.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.66 -26.95 14.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.505 ' O ' HG22 ' A' ' 72' ' ' VAL . 1.7 t-20 -82.61 -68.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 1.06 ' CZ ' HD11 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -40.53 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -60.77 -47.9 84.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.614 ' O ' ' CE1' ' A' ' 76' ' ' HIS . 3.1 m -77.75 -41.99 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.567 ' HA ' ' CG ' ' A' ' 76' ' ' HIS . 59.2 m-70 -76.94 2.02 15.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -53.87 -41.08 67.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.386 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.18 12.23 27.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.614 ' CE1' ' O ' ' A' ' 72' ' ' VAL . 0.2 OUTLIER -113.43 -19.01 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.647 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.632 HG22 ' CG ' ' A' ' 43' ' ' PHE . 1.7 mp -89.62 142.87 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.915 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -113.47 161.39 17.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.558 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -60.98 129.65 42.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.778 ' O ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER 159.64 49.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.263 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.778 ' O ' ' O ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER 34.8 111.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.06 HD11 ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -131.47 131.5 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.548 HG22 ' CD1' ' A' ' 85' ' ' ILE . 12.6 mt -150.3 158.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.1 HG12 HG12 ' A' ' 32' ' ' VAL . 14.9 m -136.52 115.03 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.013 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -107.62 146.53 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.918 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -91.6 117.42 29.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.502 ' HG2' HG13 ' A' ' 31' ' ' VAL . 21.3 mmm-85 -49.58 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.4 OUTLIER 171.47 -52.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.6 Cg_endo -74.93 2.39 6.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.648 ' HB1' ' CE ' ' A' ' 93' ' ' MET . . . -75.69 -2.07 27.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 1.008 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -66.56 -36.65 83.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.94 -23.71 66.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.648 ' CE ' ' HB1' ' A' ' 90' ' ' ALA . 5.6 mtm -66.64 166.99 11.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.903 ' C ' HD12 ' A' ' 98' ' ' ILE . 18.1 p -133.99 -178.58 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.697 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 1.0 OUTLIER -60.94 -8.25 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.34 -43.38 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 100' ' ' ASN . 30.9 mt-30 -79.58 -48.21 14.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.903 HD12 ' C ' ' A' ' 94' ' ' THR . 9.7 mt -45.12 -40.19 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.478 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 74.6 mt-30 -72.29 -35.74 68.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' GLN . 8.1 m-20 -72.39 -6.12 41.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.7 m -78.08 -47.88 17.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.778 HD21 HG13 ' A' ' 66' ' ' ILE . 1.5 mp -62.41 -17.1 58.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -2.55 14.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.466 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.9 OUTLIER -134.99 -77.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.697 179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.709 HG22 HG22 ' A' ' 32' ' ' VAL . 4.2 p -39.96 -53.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.904 HD13 ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -64.07 -43.07 96.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.1 OUTLIER -58.86 -16.7 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.476 HG22 HG11 ' A' ' 25' ' ' VAL . 2.0 mt -96.31 -33.29 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.893 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -51.5 -36.92 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 87.8 23.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.904 ' CG2' HD13 ' A' ' 106' ' ' LEU . 21.9 m -90.3 23.18 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.726 ' CE2' HD11 ' A' ' 106' ' ' LEU . 1.4 m-85 -126.72 124.41 39.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.53 ' CG ' HD12 ' A' ' 78' ' ' LEU . 68.2 m-80 -52.41 -31.46 34.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.592 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 1.2 mmtt -157.88 -43.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.592 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 2.9 ttpt 95.34 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.6 157.78 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.46 0.171 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.8 -58.76 7.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.827 HD12 ' CZ ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -134.83 134.29 40.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.784 ' N ' HD13 ' A' ' 3' ' ' LEU . 3.0 tt0 -115.46 -156.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 7' ' ' TYR . 3.2 pttt -55.44 -13.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.378 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.044 ' HB1' ' CG ' ' A' ' 42' ' ' HIS . . . -45.56 -27.9 0.84 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.827 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 46.7 m-85 -36.45 -33.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -112.35 -169.01 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.233 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.696 HG21 ' CD1' ' A' ' 15' ' ' PHE . 1.3 mm -100.25 127.06 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.54 6.34 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 6.1 mttm -148.89 116.64 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' PHE . 8.8 p30 -50.92 -45.55 60.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.36 -56.12 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.555 ' OD2' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -49.77 -37.19 28.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.696 ' CD1' HG21 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -75.23 -42.94 54.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.92 -40.17 96.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -50.3 -42.93 53.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 81' ' ' ASP . 1.7 mt -60.11 -65.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -53.69 -16.43 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -73.74 -87.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -98.86 -20.75 16.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 18' ' ' ILE . . . -36.54 157.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.418 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.3 OUTLIER -121.24 118.51 29.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.549 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.628 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 62.2 p -97.8 155.92 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.71 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 16.7 m -123.41 -144.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 160.81 131.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.586 ' CG ' ' HB ' ' A' ' 105' ' ' VAL . 3.8 p30 -89.06 -95.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.557 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -121.38 -40.39 2.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.753 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.77 23.99 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.631 ' CE2' HD11 ' A' ' 66' ' ' ILE . 2.5 t80 -147.41 156.97 43.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.538 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -146.7 133.83 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 105' ' ' VAL . 16.6 m -120.73 125.06 73.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.628 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 3.3 m-85 -95.35 122.34 37.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.789 HG21 ' HB1' ' A' ' 109' ' ' ALA . 43.0 p -140.05 154.94 47.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.407 ' HB3' ' OD2' ' A' ' 81' ' ' ASP . 8.3 t -116.18 -41.72 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.409 ' CB ' ' HG2' ' A' ' 80' ' ' LYS . 0.9 OUTLIER 42.04 80.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -112.55 158.35 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.32 60.27 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 179.42 39.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.816 HD12 ' O ' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -96.9 154.64 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.76 6.39 4.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 1.044 ' CG ' ' HB1' ' A' ' 6' ' ' ALA . 7.4 p80 177.84 176.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.675 ' CG ' ' CG2' ' A' ' 77' ' ' ILE . 1.6 p90 -112.62 84.81 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -34.85 125.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.819 HD22 ' CE1' ' A' ' 70' ' ' PHE . 8.1 mt -123.27 89.24 3.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.67 ' C ' HD12 ' A' ' 47' ' ' ILE . . . -109.77 169.55 13.75 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.499 1.124 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.67 HD12 ' C ' ' A' ' 46' ' ' GLY . 1.8 mp -119.23 119.85 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 109.212 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.909 ' CB ' HG23 ' A' ' 85' ' ' ILE . 59.7 m -122.79 129.71 52.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 53' ' ' LEU . 87.7 t -132.03 158.1 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.3 t -94.32 165.35 12.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -100.78 1.6 40.41 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.09 -15.3 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.366 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -40.25 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.728 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . 172.05 -109.95 0.33 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.505 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -101.99 -179.36 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 109.247 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -72.66 -23.46 60.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.454 HG12 HD22 ' A' ' 55' ' ' ASN . 2.5 p -65.99 -21.98 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.893 HD13 ' HB2' ' A' ' 91' ' ' LYS . 44.7 mt -84.45 -39.7 18.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -75.23 -8.98 58.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.1 m-20 -92.66 -41.51 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.838 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -72.13 -32.8 67.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.883 HD11 ' O ' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -74.12 -41.39 51.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -16.12 45.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 11.3 ttt180 -68.68 -48.33 64.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.836 ' HB3' ' CG2' ' A' ' 98' ' ' ILE . . . -79.62 -9.74 59.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.683 HG13 HD21 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -93.7 -26.1 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -9.81 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -109.1 -9.76 15.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.55 ' CG ' HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -89.75 -36.46 15.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.249 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.819 ' CE1' HD22 ' A' ' 45' ' ' LEU . 10.5 m-85 -66.8 -46.74 74.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -62.71 -52.6 62.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.517 HG13 ' N ' ' A' ' 73' ' ' HIS . 8.6 p -60.22 -52.32 62.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.408 1.067 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.63 ' O ' HD13 ' A' ' 77' ' ' ILE . 68.6 m80 -84.44 17.22 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.581 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' PHE . 5.2 ttpt -60.31 -47.23 86.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.4 m -83.09 -9.82 59.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.414 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 0.6 OUTLIER -90.72 -26.82 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.585 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.675 ' CG2' ' CG ' ' A' ' 43' ' ' PHE . 1.6 mp -83.07 145.56 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -120.82 154.44 35.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.697 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -39.16 126.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.774 ' O ' HG22 ' A' ' 82' ' ' ILE . 2.0 mttp 162.26 110.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.492 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -45.84 124.44 5.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.856 ' C ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -141.51 159.41 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.684 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 18.6 mt -157.0 115.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.632 HG13 HD11 ' A' ' 82' ' ' ILE . 6.3 m -90.38 114.34 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.605 1.191 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.909 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -114.59 143.51 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.697 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -94.98 119.66 33.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.494 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -52.87 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.355 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 1.3 mt-30 -85.27 -58.2 0.35 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.0 7.78 2.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.883 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -82.99 7.71 14.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.893 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -83.57 -13.47 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -90.82 -6.01 54.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.45 ' O ' HG23 ' A' ' 94' ' ' THR . 6.8 mtm -72.09 -176.2 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.787 ' C ' HD12 ' A' ' 98' ' ' ILE . 14.4 p -154.38 160.05 41.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.68 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.3 m -44.63 -22.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.451 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.1 tm? -76.87 -45.42 28.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 94' ' ' THR . 26.1 mt-30 -82.27 -43.35 17.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.838 HD13 ' O ' ' A' ' 61' ' ' LYS . 10.1 mt -49.04 -37.16 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.485 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 31.6 mt-30 -74.89 -38.63 61.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.597 1.186 . . . . 0.0 110.328 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -75.61 -13.84 60.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 97' ' ' GLN . 30.7 m -73.17 -49.48 27.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.683 HD21 HG13 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -62.81 -16.35 57.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.04 -3.14 21.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.504 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -133.9 -75.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.575 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 32' ' ' VAL . 4.2 p -41.13 -51.04 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.732 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -68.18 -40.72 82.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -58.42 -21.34 50.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.504 HD11 ' CE1' ' A' ' 104' ' ' HIS . 2.9 mt -90.8 -38.51 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.789 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -42.18 -33.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 7.8 tptm 88.56 17.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.732 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 31.1 m -92.4 27.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.678 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -133.91 122.88 23.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.601 ' N ' HD11 ' A' ' 78' ' ' LEU . 17.2 m-80 -37.4 -39.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.82 -86.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 pttt 179.5 88.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -53.59 159.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.505 ' HE3' ' CZ ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.532 0.206 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 1' ' ' MET . 1.0 OUTLIER 86.4 -45.92 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.067 HD11 ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -69.09 177.4 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.674 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -78.17 -160.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 1.6 ptpp? -104.12 -5.42 22.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.367 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.521 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . . . -61.16 -18.81 60.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 1.067 ' CD1' HD11 ' A' ' 3' ' ' LEU . 2.1 m-85 -123.7 26.98 7.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.53 168.68 19.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.731 HG22 ' H ' ' A' ' 10' ' ' LYS . 1.2 mm -99.73 -167.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.731 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 174.52 -34.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.51 166.93 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.385 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' PHE . 5.2 m-80 -78.89 -50.1 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.62 -58.54 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB2' ' CG2' ' A' ' 9' ' ' ILE . 51.5 m-20 -45.88 -39.92 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.615 1.197 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CE1' HD13 ' A' ' 83' ' ' ILE . 1.2 m-85 -77.28 -40.96 42.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 20' ' ' LYS . 1.1 mt-30 -65.6 -35.53 81.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 20' ' ' LYS . 10.9 tpp180 -41.68 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -46.14 -56.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 5.0 m-85 -55.37 -15.86 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.58 1.175 . . . . 0.0 111.009 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -72.96 -80.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 2.56 10.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -51.61 170.62 0.36 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.143 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 25' ' ' VAL . 10.9 t60 -108.49 100.8 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 109.554 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 5.1 p -89.61 144.47 25.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.564 HG13 ' CD2' ' A' ' 23' ' ' HIS . 30.8 m -138.18 139.26 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -131.48 123.54 28.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.67 ' ND2' ' CB ' ' A' ' 101' ' ' SER . 1.4 p30 -74.2 -96.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -123.25 -37.31 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.649 ' HB3' ' HB2' ' A' ' 90' ' ' ALA . 3.1 mt-30 -144.11 50.13 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' CZ ' ' HB ' ' A' ' 84' ' ' VAL . 1.4 t80 177.89 143.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.685 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -133.85 130.87 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.424 1.077 . . . . 0.0 109.339 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.646 HG22 HG22 ' A' ' 105' ' ' VAL . 34.0 m -120.26 138.41 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CD2' ' CD1' ' A' ' 19' ' ' TYR . 5.8 m-85 -109.28 133.13 53.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.684 HG21 ' HB1' ' A' ' 109' ' ' ALA . 70.5 p -144.86 156.77 44.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.5 t -161.51 154.21 20.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 108.363 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.405 ' ND2' ' HD2' ' A' ' 80' ' ' LYS . 21.6 t30 -150.33 137.1 19.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 6.8 t30 175.91 65.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' ASN . 1.5 mptp? 40.09 79.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.618 1.199 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.21 -51.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.504 HD13 ' NE ' ' A' ' 44' ' ' ARG . 2.2 tp -110.47 168.89 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.379 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.454 ' C ' ' CB ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -135.99 10.41 3.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.241 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 1.7 m-70 -151.33 162.04 41.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.624 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.728 ' CD2' ' CG2' ' A' ' 77' ' ' ILE . 45.8 p90 -78.32 108.7 11.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.504 ' NE ' HD13 ' A' ' 40' ' ' ILE . 4.4 mtm180 -79.8 114.18 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.913 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -89.17 121.47 31.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.497 ' C ' HD13 ' A' ' 47' ' ' ILE . . . -129.67 132.84 7.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.829 ' N ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -104.76 134.02 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.929 ' CB ' HG23 ' A' ' 85' ' ' ILE . 66.1 m -144.37 134.72 24.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.573 HG11 ' CD ' ' A' ' 59' ' ' ARG . 42.3 t -139.95 161.9 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.501 ' HB3' HD12 ' A' ' 53' ' ' LEU . 26.9 t -94.07 163.33 13.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.79 0.83 33.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.597 1.186 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -103.88 -17.68 14.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.693 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.36 -68.74 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.919 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 168.16 -113.92 0.55 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.563 ' O ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -95.27 -158.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . . . -95.95 -19.68 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 p -63.81 -37.19 79.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.953 HD22 ' HB2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -82.7 -22.28 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.619 ' N ' HD12 ' A' ' 58' ' ' LEU . 30.3 mtm180 -88.8 -12.63 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.9 -38.62 15.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -71.29 -37.74 71.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.866 HG21 ' HB2' ' A' ' 86' ' ' ALA . 71.7 mt -69.61 -26.6 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' ILE . 0.3 OUTLIER -90.21 -63.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.535 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 6.4 ptm180 -38.26 -44.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -63.45 -47.76 80.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.563 HD13 ' CG2' ' A' ' 84' ' ' VAL . 47.2 mt -50.07 -47.19 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.505 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 2.1 ptm180 -85.55 13.0 7.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.1 -28.64 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.621 ' O ' HG22 ' A' ' 72' ' ' VAL . 2.6 m-20 -99.44 -55.15 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.913 ' CE2' HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -31.27 -39.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ASN . 4.8 tptt -57.52 -66.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 69' ' ' ASN . 16.2 m -54.92 -37.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.958 ' CE1' HD21 ' A' ' 106' ' ' LEU . 46.9 m-70 -71.05 -19.89 62.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 109.54 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -66.33 -18.05 65.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.4 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.31 36.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.689 ' CE1' ' CD2' ' A' ' 112' ' ' PHE . 0.2 OUTLIER -175.35 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.728 ' CG2' ' CD2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -44.9 141.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.722 ' H ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.19 178.4 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.547 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -66.92 130.35 42.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 159.76 112.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 34' ' ' THR . 47.0 t0 -47.78 121.07 3.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.514 HD13 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -127.9 156.35 39.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.528 HD13 ' CE1' ' A' ' 15' ' ' PHE . 30.7 mt -155.47 126.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 m -106.99 125.13 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.929 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -123.0 146.59 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.866 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -81.74 113.11 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.482 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 6.5 mmt180 -34.61 -91.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -174.78 -57.7 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.369 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.3 Cg_endo -74.98 4.68 4.51 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.007 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -87.49 21.34 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.953 ' HB2' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -77.62 -18.71 56.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.79 23.24 14.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . 1.007 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.36 -165.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 93' ' ' MET . 1.6 p -154.88 145.31 22.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.71 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.3 m -43.63 -24.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.75 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -73.72 -49.17 26.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 94' ' ' THR . 2.7 mm-40 -66.35 -37.94 86.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 95' ' ' THR . 12.7 mt -55.88 -42.26 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 95' ' ' THR . 0.9 OUTLIER -65.76 -31.87 73.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.232 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.43 -34.14 60.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.67 ' CB ' ' ND2' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -75.18 -51.71 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.949 HD23 HD22 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -54.0 -34.16 59.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.81 -1.48 9.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.95 -73.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.646 HG22 HG22 ' A' ' 32' ' ' VAL . 2.7 p -46.92 -52.02 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.958 HD21 ' CE1' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -68.9 -40.93 78.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 tmtt? -54.81 -43.59 73.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.1 mt -68.67 -36.34 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.684 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -41.81 -37.29 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 84.11 30.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.9 ' CG2' HD12 ' A' ' 106' ' ' LEU . 4.6 m -84.26 6.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.689 ' CD2' ' CE1' ' A' ' 76' ' ' HIS . 15.2 m-85 -106.51 124.87 50.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.695 ' N ' HD11 ' A' ' 78' ' ' LEU . 19.4 m-80 -35.95 -36.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -138.92 -82.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -177.32 89.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.189 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.621 HG13 ' CD2' ' A' ' 76' ' ' HIS . 0.1 OUTLIER -41.39 160.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.415 ' N ' HG23 ' A' ' 116' ' ' ILE . 6.7 tttt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 mtt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.511 0.196 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.7 mt -146.13 -103.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.021 HD13 ' N ' ' A' ' 4' ' ' GLU . 1.4 tm? -175.2 143.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 1.021 ' N ' HD13 ' A' ' 3' ' ' LEU . 1.8 tt0 -153.05 -159.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.26 -4.56 10.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.731 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . . . -63.07 -17.18 61.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.784 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -133.2 24.51 4.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.94 121.48 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.977 HD12 HD11 ' A' ' 83' ' ' ILE . 5.4 mm -70.98 76.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 -28.94 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.12 153.77 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.1 t-20 -75.67 -28.09 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.371 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.67 -41.94 67.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.84 -26.0 67.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 13.2 m-85 -88.77 -33.17 17.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ASN . 2.3 tt0 -76.78 -48.05 19.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -38.98 -46.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.423 HG21 ' O ' ' A' ' 33' ' ' TYR . 1.1 mt -69.95 -56.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 15' ' ' PHE . 10.1 m-85 -48.78 -22.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.65 13.97 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.03 176.83 2.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.548 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 7.3 p-80 -122.44 111.26 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.618 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.511 ' HB3' ' CD1' ' A' ' 33' ' ' TYR . 52.9 p -95.98 158.31 15.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 105' ' ' VAL . 13.9 m -143.0 125.07 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -108.81 104.62 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.674 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 8.6 p30 -54.13 -88.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.243 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.674 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 18.5 mmt85 -124.32 -43.12 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.71 9.98 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.586 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -133.31 138.11 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.564 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -112.43 134.51 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.068 HG11 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -115.99 99.56 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 24' ' ' SER . 6.0 m-85 -80.8 93.02 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.603 HG21 ' HB1' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -114.55 159.01 20.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 36' ' ' ASN . 16.3 p -129.71 122.64 29.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.237 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 38' ' ' LYS . 3.5 p-10 -48.66 178.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -47.85 91.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -108.89 61.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 59.85 19.07 7.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -84.81 159.71 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' C ' ' CG ' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -148.0 15.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.42 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.501 ' C ' ' HA ' ' A' ' 79' ' ' ALA . 4.3 m-70 -153.3 168.17 26.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.558 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' PHE . 1.8 p90 -116.93 128.62 55.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.656 ' CG ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -126.33 102.76 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.193 HD13 ' CD2' ' A' ' 70' ' ' PHE . 52.4 mt -80.59 138.2 36.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.731 ' C ' HD12 ' A' ' 47' ' ' ILE . . . -126.24 167.8 18.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.731 HD12 ' C ' ' A' ' 46' ' ' GLY . 4.4 mp -137.52 110.51 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 0.823 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.968 ' HB3' HG23 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -124.22 142.11 51.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 0.0 110.092 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.996 HG21 ' HG2' ' A' ' 59' ' ' ARG . 83.1 t -122.23 168.67 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.553 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -94.08 171.28 8.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -108.63 -0.21 20.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -106.09 -19.92 13.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.828 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -38.99 -71.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' ' 58' ' ' LEU . . . 165.38 -114.1 0.58 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.582 ' H ' HD12 ' A' ' 58' ' ' LEU . 1.3 t30 -97.33 177.2 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.82 -24.68 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.72 -39.25 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.582 HD12 ' H ' ' A' ' 55' ' ' ASN . 2.5 mt -73.19 -43.67 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.996 ' HG2' HG21 ' A' ' 49' ' ' VAL . 2.1 tmt_? -67.07 -12.95 61.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -87.05 -36.72 18.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.355 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -37.19 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.973 HG21 ' HB2' ' A' ' 86' ' ' ALA . 12.8 mt -76.14 -26.65 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' ILE . 81.6 tttt -87.85 -59.48 2.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -49.12 -30.8 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.45 ' CB ' HD12 ' A' ' 98' ' ' ILE . . . -80.32 -26.51 38.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -79.96 -18.97 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -8.61 20.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -106.79 1.88 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.49 ' ND2' ' NE2' ' A' ' 73' ' ' HIS . 8.5 t-20 -117.94 -69.13 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.405 1.066 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 1.193 ' CD2' HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -38.79 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASN . 13.3 mmmt -51.14 -21.82 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.605 HG22 ' CD2' ' A' ' 73' ' ' HIS . 2.6 m -98.01 -42.24 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.257 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.756 ' ND1' HD21 ' A' ' 106' ' ' LEU . 10.6 m-70 -68.17 -17.19 64.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.198 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' PHE . 6.4 tttp -70.78 -15.35 62.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.222 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 t -100.98 38.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.855 ' CE1' HD12 ' A' ' 77' ' ' ILE . 0.1 OUTLIER -169.4 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.855 HD12 ' CE1' ' A' ' 76' ' ' HIS . 0.6 OUTLIER -45.71 138.85 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.773 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -113.94 179.53 3.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.559 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -52.84 130.54 33.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.232 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.628 ' O ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER 159.34 112.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -67.97 93.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.075 HG21 HG11 ' A' ' 111' ' ' VAL . 1.1 pp -105.2 172.59 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 1.075 HG22 HD11 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -171.38 114.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.042 ' C ' HD13 ' A' ' 85' ' ' ILE . 1.4 m -91.99 134.64 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.075 HD11 HG22 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -119.31 149.7 21.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.973 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -90.59 103.64 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.484 ' HD2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -46.78 175.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 110.238 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.5 OUTLIER -74.0 -48.87 6.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.4 Cg_endo -74.98 5.8 3.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 29' ' ' GLN . . . -76.32 -1.49 26.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -15.65 57.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.32 13.36 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.487 ' HG2' ' N ' ' A' ' 94' ' ' THR . 10.5 ttp -101.99 146.85 27.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.487 ' N ' ' HG2' ' A' ' 93' ' ' MET . 1.7 p -104.77 148.31 26.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.377 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -49.47 -22.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.86 -40.56 91.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.59 -22.77 46.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 102' ' ' LEU . 19.1 mt -60.11 -57.96 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -55.05 -33.5 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -83.06 -8.04 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.214 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.466 ' CB ' ' ND2' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -96.62 -51.18 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.977 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.771 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.9 OUTLIER -53.27 -30.77 40.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.88 1.96 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.591 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.8 OUTLIER -123.29 -70.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 1.024 HG22 ' HB ' ' A' ' 32' ' ' VAL . 11.9 p -43.95 -57.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.771 HD23 ' O ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -65.86 -41.45 91.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.223 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.439 ' N ' ' HG ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -51.3 -42.13 60.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.17 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 104' ' ' HIS . 14.9 mt -71.42 -37.94 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.229 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.068 ' HB2' HG11 ' A' ' 32' ' ' VAL . . . -42.58 -40.9 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 29.1 tttm 93.53 22.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.075 HG11 HG21 ' A' ' 82' ' ' ILE . 12.3 m -88.12 26.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.67 ' CE1' ' NE2' ' A' ' 76' ' ' HIS . 9.9 m-85 -114.6 122.06 45.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.773 ' N ' HD11 ' A' ' 78' ' ' LEU . 13.7 m-20 -40.68 -39.31 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.1 -79.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.15 58.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.618 HD12 ' CD2' ' A' ' 76' ' ' HIS . 1.1 mt -40.87 156.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.529 0.204 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -51.11 10.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.805 HD13 ' H ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -159.49 149.74 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 109.277 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.805 ' H ' HD13 ' A' ' 3' ' ' LEU . 4.0 mm-40 -114.38 -133.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -63.35 -6.72 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.7 ' HA ' HD11 ' A' ' 3' ' ' LEU . . . 73.08 21.18 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.518 ' CB ' ' O ' ' A' ' 43' ' ' PHE . 6.8 m-85 64.84 23.26 12.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 10' ' ' LYS . 6.3 mtm-85 -72.68 117.53 14.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.873 HG13 HD11 ' A' ' 83' ' ' ILE . 5.8 mm -43.05 95.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ARG . 4.4 mtpt -105.85 4.08 29.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 141.26 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' PHE . 1.2 m120 -60.93 -59.85 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.99 -54.93 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' CB ' HG23 ' A' ' 9' ' ' ILE . 75.8 m-20 -45.91 -33.66 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.833 ' CE1' HG21 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.38 -42.97 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 17' ' ' ARG . 1.3 pp0? -64.62 -29.86 70.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -60.09 -40.02 88.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.555 ' N ' HD13 ' A' ' 18' ' ' ILE . 3.4 mm -64.03 -67.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -44.55 -25.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -72.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -46.02 2.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.78 108.74 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.407 ' ND1' ' O ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 179.8 58.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 109.596 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.514 ' HB3' ' CD2' ' A' ' 33' ' ' TYR . 79.3 p -109.21 161.73 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 1.021 HG11 HG22 ' A' ' 108' ' ' ILE . 22.3 m -137.88 125.48 29.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB1' ' HD3' ' A' ' 87' ' ' ARG . . . -107.85 132.35 53.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.535 ' CG ' ' HB ' ' A' ' 105' ' ' VAL . 11.8 p-10 -107.74 -145.23 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.524 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -35.52 -70.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.787 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -143.89 27.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.548 ' C ' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -132.69 151.62 51.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 26' ' ' ALA . 1.2 m -135.53 142.89 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.976 HG12 HG12 ' A' ' 84' ' ' VAL . 12.1 m -127.26 133.27 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.521 ' HB3' HG21 ' A' ' 18' ' ' ILE . 18.0 m-85 -111.33 133.03 53.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 34.2 p -137.19 176.66 8.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.46 108.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.301 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.5 ' HA ' HD13 ' A' ' 18' ' ' ILE . 13.8 p-10 -109.44 -47.99 3.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.371 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 3.2 t-20 162.97 -86.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 37' ' ' ASN . 4.6 tttt -156.2 73.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -178.38 111.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.797 HD12 ' CD ' ' A' ' 44' ' ' ARG . 7.8 tp -142.34 159.02 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.614 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 1.4 p30 -132.78 42.84 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.614 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 1.2 m-70 95.04 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.628 ' CZ ' ' HG3' ' A' ' 74' ' ' LYS . 3.1 p90 175.1 165.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 111.046 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.797 ' CD ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -135.0 -174.7 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.057 HD11 ' CD1' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -168.15 105.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.467 ' O ' HD12 ' A' ' 47' ' ' ILE . . . -88.14 -69.99 1.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.632 HG23 HG21 ' A' ' 66' ' ' ILE . 1.2 mt 75.33 111.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.981 ' CB ' HG23 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -134.83 168.49 18.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.718 HG11 ' HB2' ' A' ' 59' ' ' ARG . 3.1 t -159.81 148.21 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.3 t -93.82 159.43 15.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -94.3 -2.51 52.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -17.59 35.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 88' ' ' GLN . 2.3 mt -48.83 -66.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.545 ' N ' HD21 ' A' ' 58' ' ' LEU . . . 173.13 -99.68 0.14 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.442 1.089 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -102.98 -167.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.749 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -94.58 -22.27 18.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.14 -23.31 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.051 HD12 ' N ' ' A' ' 59' ' ' ARG . 1.7 pp -86.03 -36.92 19.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 1.051 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.41 -7.48 53.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.232 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -91.95 -28.58 17.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -87.11 -33.08 19.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.8 HG21 ' HB2' ' A' ' 86' ' ' ALA . 37.2 mt -68.94 -36.38 73.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -85.12 -40.26 16.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 11.1 ttt180 -56.31 -63.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB2' ' OG1' ' A' ' 95' ' ' THR . . . -55.43 -31.65 62.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.632 HG21 HG23 ' A' ' 47' ' ' ILE . 1.7 mt -57.28 -41.8 78.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -93.96 9.34 37.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -99.27 -17.15 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -115.74 -5.14 12.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 1.057 ' CD1' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -99.34 -31.58 11.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -9.46 41.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.92 -49.79 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.372 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 76' ' ' HIS . 79.1 m80 -79.33 -0.58 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.686 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.628 ' HG3' ' CZ ' ' A' ' 43' ' ' PHE . 1.5 ttpt -42.74 -37.78 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.51 -26.96 21.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 73' ' ' HIS . 14.5 m80 -67.05 -44.51 80.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.7 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -56.78 155.68 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.848 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.85 170.91 8.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.555 ' CA ' HG12 ' A' ' 40' ' ' ILE . . . -62.07 105.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER 177.65 103.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.6 t70 -33.53 123.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.924 HD13 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -128.55 143.33 41.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 1.064 HG22 HD11 ' A' ' 85' ' ' ILE . 16.3 mt -156.63 110.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.037 ' C ' HD13 ' A' ' 85' ' ' ILE . 6.8 m -97.69 130.65 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.064 HD11 HG22 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -120.07 163.88 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.8 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -97.49 111.44 23.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.508 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 18.1 mmm180 -33.93 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.604 ' O ' HD23 ' A' ' 53' ' ' LEU . 5.1 tp60 166.16 -46.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.03 4.97 4.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.367 1.719 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.981 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -90.99 18.48 6.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.378 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' HB3' ' CA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.2 -8.74 48.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.64 31.39 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.981 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -88.41 -170.17 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 93' ' ' MET . 1.7 p -155.89 160.09 39.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -52.76 -17.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.464 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.496 ' C ' HD13 ' A' ' 96' ' ' LEU . 2.9 tm? -80.81 -49.45 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -70.3 -33.39 71.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.565 HG21 ' HB3' ' A' ' 65' ' ' ALA . 43.0 mt -58.33 -52.92 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -62.02 -37.8 86.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.73 -31.47 72.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.5 m -69.35 -46.64 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.654 HD23 HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -53.77 -26.84 25.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -2.3 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.636 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.4 OUTLIER -133.97 -75.02 0.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.093 . . . . 0.0 109.578 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 106' ' ' LEU . 5.2 p -36.64 -56.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 1.032 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -70.32 -39.31 74.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.726 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -53.25 -21.06 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.364 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.021 HG22 HG11 ' A' ' 25' ' ' VAL . 4.8 mt -91.64 -35.72 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -58.74 -38.24 77.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 81.48 27.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.285 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.032 HG22 HD13 ' A' ' 106' ' ' LEU . 6.2 m -91.3 24.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.726 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 2.0 p90 -137.85 116.96 12.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.719 ' N ' HD11 ' A' ' 78' ' ' LEU . 21.7 m120 -40.05 -46.01 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 115' ' ' LYS . 6.9 ttmt 178.37 -89.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.226 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 114' ' ' LYS . 11.1 tttt -176.75 87.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.2 mt -64.61 144.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.8 tttm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.481 0.182 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -67.4 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.14 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -62.69 -162.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.107 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.622 ' OE1' ' CE1' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -119.75 -134.53 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.666 ' HE2' HD11 ' A' ' 40' ' ' ILE . 10.7 ptpp? -59.57 -7.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' C ' ' CG ' ' A' ' 7' ' ' TYR . . . 72.96 20.5 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 1.14 ' CZ ' HD11 ' A' ' 3' ' ' LEU . 0.5 OUTLIER 63.66 21.2 12.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.36 144.38 46.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 44' ' ' ARG . 1.1 mt -134.07 123.15 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 4.5 tttt -37.04 -36.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.587 ' HA ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 91.4 -13.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -113.84 -95.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.54 -41.03 63.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 18' ' ' ILE . 3.7 m-20 -63.47 -25.54 68.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.684 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 0.5 OUTLIER -89.62 -38.2 14.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -65.82 -45.03 83.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -21.77 7.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.468 ' N ' HD13 ' A' ' 18' ' ' ILE . 2.0 mm -84.67 -59.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.568 ' CD2' ' CE2' ' A' ' 33' ' ' TYR . 21.0 m-85 -61.59 -14.02 26.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -55.01 -79.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -127.42 12.93 7.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.25 -178.73 7.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.581 ' HE1' HG12 ' A' ' 25' ' ' VAL . 3.5 t-80 -118.11 109.57 16.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 33' ' ' TYR . 49.6 p -93.82 140.78 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.083 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.581 HG12 ' HE1' ' A' ' 23' ' ' HIS . 34.8 m -132.15 124.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -119.27 130.6 55.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.459 ' N ' HG23 ' A' ' 105' ' ' VAL . 19.2 t-20 -85.45 -94.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -111.61 -55.42 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.677 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -132.35 14.12 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.367 1.042 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HE2' HG23 ' A' ' 98' ' ' ILE . 1.4 t80 -123.63 145.12 49.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.477 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -137.13 114.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 109' ' ' ALA . 27.0 m -113.4 114.35 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.568 ' CE2' ' CD2' ' A' ' 19' ' ' TYR . 5.5 m-85 -93.86 137.0 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.5 p -137.15 162.69 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.6 t -162.54 131.29 4.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.31 86.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -54.55 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.244 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 60.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 51.04 93.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.016 HG23 ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -89.45 -135.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.837 ' C ' ' HB2' ' A' ' 79' ' ' ALA . 6.2 m-20 -176.66 -25.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.622 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 1.1 m80 -124.43 135.93 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.812 ' CZ ' ' CE1' ' A' ' 7' ' ' TYR . 29.2 p90 -58.75 174.76 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.659 ' O ' HG22 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -131.88 163.39 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.671 HD11 ' CG ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -152.78 98.03 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' O ' ' HB ' ' A' ' 47' ' ' ILE . . . -91.83 -57.38 1.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.831 HG23 HG21 ' A' ' 66' ' ' ILE . 1.9 mp 74.35 111.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.502 ' OG ' ' CZ ' ' A' ' 15' ' ' PHE . 4.4 m -140.86 173.28 11.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.811 HG12 HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -129.47 -156.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.63 ' CB ' HD12 ' A' ' 53' ' ' LEU . 19.8 t -101.54 172.08 7.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.58 -3.27 55.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -19.42 12.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.07 HD23 HD22 ' A' ' 58' ' ' LEU . 1.8 mt -79.6 -101.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 42.35 85.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.986 ' N ' HD11 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -156.5 -165.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 60' ' ' ASN . . . -116.57 -20.25 9.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 p -85.54 -32.41 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.07 HD22 HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -88.16 -43.56 11.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.857 ' H ' HD12 ' A' ' 58' ' ' LEU . 15.6 mtp85 -66.26 -6.6 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.2 m-20 -95.15 -18.6 20.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -115.27 -12.07 11.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.821 HD11 ' O ' ' A' ' 90' ' ' ALA . 51.9 mt -108.25 -31.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 59' ' ' ARG . 1.1 ttpp -97.47 -4.97 37.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 ttt85 -86.89 -50.76 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.698 ' HB2' HG23 ' A' ' 95' ' ' THR . . . -69.87 -16.83 63.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.831 HG21 HG23 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -79.31 -30.33 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 11.13 30.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -115.72 -0.63 12.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -118.71 -61.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.671 ' CG ' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -50.21 -18.28 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -46.14 90.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 69' ' ' ASN . 3.1 m -81.73 -43.62 19.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.592 ' HB3' HD13 ' A' ' 77' ' ' ILE . 72.0 m80 -72.39 -3.99 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.684 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -48.37 -27.04 2.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -102.42 -17.32 15.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.507 ' CD2' HG21 ' A' ' 116' ' ' ILE . 0.3 OUTLIER -83.9 -14.87 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.61 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.592 HD13 ' HB3' ' A' ' 73' ' ' HIS . 1.7 mp -96.9 146.11 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.86 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.74 173.31 6.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.378 1.049 . . . . 0.0 109.257 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.016 ' HB1' HG23 ' A' ' 40' ' ' ILE . . . -53.26 122.96 10.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER 171.24 108.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.2 t0 -39.98 105.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.998 HG12 HG11 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -103.98 144.89 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.944 HD13 ' O ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -144.67 83.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 84' ' ' VAL . 16.6 m -73.56 98.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -102.49 159.3 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.675 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -106.94 117.99 35.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.603 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -49.75 -170.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.496 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -82.76 -56.76 0.48 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.603 ' HD2' ' HB3' ' A' ' 87' ' ' ARG . 18.1 Cg_endo -75.07 10.51 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.547 1.814 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.821 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -85.55 19.62 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -90.04 -38.22 13.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.08 25.59 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.543 ' HG2' ' N ' ' A' ' 94' ' ' THR . 10.1 ttp -99.84 152.72 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.543 ' N ' ' HG2' ' A' ' 93' ' ' MET . 7.9 p -110.9 146.17 37.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.698 HG23 ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -47.05 -22.6 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 1.8 tm? -65.39 -38.77 91.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.7 mt-30 -78.55 -30.51 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.693 HG21 ' HB3' ' A' ' 65' ' ' ALA . 97.2 mt -63.41 -56.89 14.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.489 ' NE2' HG22 ' A' ' 95' ' ' THR . 2.8 pt20 -56.73 -24.23 48.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 96' ' ' LEU . 50.9 m-20 -90.49 -15.45 30.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.84 -47.72 6.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.905 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -52.7 -33.26 46.86 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -0.91 12.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.607 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -128.02 -72.08 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.628 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 30' ' ' PHE . 2.6 p -44.32 -50.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.91 HD12 ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -70.31 -39.42 74.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -52.79 -40.64 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.576 HD11 ' NE2' ' A' ' 104' ' ' HIS . 45.3 mt -74.18 -36.85 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -38.56 -30.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.1 OUTLIER 88.12 14.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.998 HG11 HG12 ' A' ' 82' ' ' ILE . 33.6 m -93.15 29.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 106' ' ' LEU . 1.2 m-85 -124.7 115.5 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.86 ' N ' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -34.88 -63.38 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.84 -70.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt 177.35 74.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.507 HG21 ' CD2' ' A' ' 76' ' ' HIS . 0.6 OUTLIER -51.68 153.22 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.591 1.182 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.549 0.214 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.09 5.67 25.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.403 1.064 . . . . 0.0 109.222 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.021 HD13 ' N ' ' A' ' 4' ' ' GLU . 1.7 tm? -151.76 147.72 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 1.021 ' N ' HD13 ' A' ' 3' ' ' LEU . 1.9 mt-10 -155.32 -162.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 8' ' ' ARG . 63.0 pttt -65.0 -5.76 7.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.31 -43.91 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.65 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -87.22 21.44 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -115.63 123.67 49.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.769 HD11 ' HB3' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -88.83 -157.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.406 1.066 . . . . 0.0 109.238 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.655 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER 160.26 -27.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.367 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.67 153.44 27.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.0 m-20 -79.69 -22.92 42.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.48 -53.02 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.564 ' HB3' HG21 ' A' ' 9' ' ' ILE . 6.6 m-20 -63.26 -28.65 70.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.696 ' CE2' HG21 ' A' ' 83' ' ' ILE . 1.6 m-85 -84.77 -19.27 32.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -90.9 -46.2 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.58 -30.86 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.445 HG23 ' HB3' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -82.84 -48.23 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.647 ' CZ ' ' CZ ' ' A' ' 33' ' ' TYR . 5.8 m-85 -67.99 -8.67 39.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -64.47 -83.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.96 13.57 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.31 -157.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -136.93 93.33 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.573 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.548 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 74.8 p -97.54 136.81 37.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.08 . . . . 0.0 110.056 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.917 HG11 HG22 ' A' ' 108' ' ' ILE . 17.7 m -103.97 -175.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -177.51 126.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.553 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 2.5 p30 -83.66 -89.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 5.8 ttm180 -122.51 -46.59 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -138.14 18.72 2.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.775 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -137.61 131.56 31.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -130.7 128.59 63.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.046 HG12 HG12 ' A' ' 84' ' ' VAL . 17.5 m -116.21 105.8 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.647 ' CZ ' ' CZ ' ' A' ' 19' ' ' TYR . 7.9 m-85 -78.75 123.02 26.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.595 HG21 ' HB1' ' A' ' 109' ' ' ALA . 44.9 p -137.84 150.34 47.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.445 ' HB3' HG23 ' A' ' 18' ' ' ILE . 2.6 t 173.63 95.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.432 ' OD1' ' HA ' ' A' ' 80' ' ' LYS . 1.2 p-10 176.29 128.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.256 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 46.9 m-80 -67.65 -28.08 67.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER 166.51 -110.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 0.4 OUTLIER 70.34 6.13 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.777 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -135.93 -172.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.473 ' CA ' ' HB2' ' A' ' 79' ' ' ALA . 18.4 t0 -156.44 15.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.516 ' O ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -133.09 -101.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.551 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.65 ' CE1' ' CD2' ' A' ' 7' ' ' TYR . 32.9 p90 168.88 110.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.769 ' HB3' HD11 ' A' ' 9' ' ' ILE . 40.0 mtt-85 -65.66 84.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' HG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -77.31 98.63 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.59 138.99 15.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.705 HG12 HD13 ' A' ' 66' ' ' ILE . 5.0 mt -120.31 128.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.468 ' C ' HG23 ' A' ' 49' ' ' VAL . 1.4 m -136.21 167.12 21.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.776 ' CG1' HD13 ' A' ' 53' ' ' LEU . 39.5 t -154.48 173.05 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.594 ' N ' HG12 ' A' ' 49' ' ' VAL . 30.1 t -93.02 162.5 14.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.054 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -99.23 1.62 44.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -107.51 -17.35 14.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.066 HD22 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -39.98 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.691 ' CA ' HD21 ' A' ' 58' ' ' LEU . . . 174.25 -114.36 0.5 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.58 ' CG ' HG12 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -92.9 -172.31 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.65 -24.5 27.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.373 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.58 HG12 ' CG ' ' A' ' 55' ' ' ASN . 4.2 p -57.66 -40.74 76.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.066 HD13 HD22 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -73.95 -28.69 61.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.989 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -77.74 -11.55 59.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -90.67 -36.38 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HA ' ' CG ' ' A' ' 64' ' ' ARG . 2.4 tttp -75.79 -10.34 59.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.073 HG21 ' HB2' ' A' ' 86' ' ' ALA . 66.2 mt -98.12 -32.22 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.676 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -89.91 -35.65 15.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HB3' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -68.46 -33.76 74.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 1.007 ' HB2' ' OG1' ' A' ' 95' ' ' THR . . . -59.67 -42.34 92.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.705 HD13 HG12 ' A' ' 47' ' ' ILE . 21.3 mt -56.32 -45.89 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -2.94 22.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -23.58 14.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.236 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.55 ' O ' HG22 ' A' ' 72' ' ' VAL . 1.1 t30 -108.83 -61.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CE1' HG12 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -53.23 -17.93 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.441 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -64.85 -51.17 63.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.595 ' O ' ' CE1' ' A' ' 76' ' ' HIS . 5.2 m -74.54 -40.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.188 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.574 ' HA ' ' CG ' ' A' ' 76' ' ' HIS . 89.2 m-70 -77.05 0.54 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -52.92 -45.06 67.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.15 10.58 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.587 1.179 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.595 ' CE1' ' O ' ' A' ' 72' ' ' VAL . 0.1 OUTLIER -113.24 -30.28 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.626 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.56 HG12 ' CE1' ' A' ' 70' ' ' PHE . 1.6 mp -75.99 153.56 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.755 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -122.46 174.55 6.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.777 ' HB1' HG13 ' A' ' 40' ' ' ILE . . . -59.78 136.45 58.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.613 ' O ' HG22 ' A' ' 82' ' ' ILE . 1.3 mtpm? 161.96 127.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -63.61 97.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.89 HD11 HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -115.76 152.75 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.696 HG21 ' CE2' ' A' ' 15' ' ' PHE . 22.6 mt -152.45 106.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.046 HG12 HG12 ' A' ' 32' ' ' VAL . 2.0 m -92.16 127.07 44.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.541 ' HB ' HG13 ' A' ' 31' ' ' VAL . 2.5 mp -115.09 167.97 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.073 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -90.75 42.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.523 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 18.5 tpt180 33.97 -92.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -169.84 -56.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 87' ' ' ARG . 18.1 Cg_endo -75.01 6.94 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.545 1.813 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.99 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -78.02 42.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.723 ' CB ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -120.41 -0.2 10.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -122.9 12.28 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.559 ' HE3' ' HB1' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -117.22 161.43 19.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 97' ' ' GLN . 7.4 p -112.83 157.45 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 1.007 ' OG1' ' HB2' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -47.44 -21.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -72.5 -39.97 67.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.2 mt-30 -81.91 -34.66 29.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.629 HG22 ' HA ' ' A' ' 95' ' ' THR . 2.0 tt -66.29 -42.9 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 95' ' ' THR . 16.1 pt20 -71.09 -28.94 64.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -73.32 -20.8 60.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.374 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.436 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -103.35 -23.55 13.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.916 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 106' ' ' LEU . 1.6 tt -57.43 -33.5 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 1.9 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.514 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -115.15 -70.54 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 109.566 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.775 HG21 ' O ' ' A' ' 30' ' ' PHE . 4.8 p -43.89 -49.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.68 HD21 ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -67.44 -39.32 85.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -23.77 58.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.917 HG22 HG11 ' A' ' 25' ' ' VAL . 3.2 mt -90.7 -21.01 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.825 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -64.27 -26.96 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt 80.9 17.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.667 HG22 HD12 ' A' ' 106' ' ' LEU . 6.5 m -91.1 26.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.68 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -128.05 118.75 24.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.684 ' N ' HD11 ' A' ' 78' ' ' LEU . 29.8 m120 -37.89 -33.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.3 OUTLIER 178.3 -80.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 tttm 179.91 87.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.43 158.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.486 0.184 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.27 -97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.032 HD11 ' CD2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -104.55 -173.24 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.801 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -128.41 -164.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -97.04 -4.66 39.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.5 -28.45 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 1.032 ' CD2' HD11 ' A' ' 3' ' ' LEU . 5.2 m-30 -99.22 19.55 15.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.71 132.77 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' C ' ' N ' ' A' ' 11' ' ' LYS . 5.1 mt -105.5 114.83 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -39.57 -29.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 91.07 -9.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.206 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.7 m-20 -121.54 -89.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.41 -47.92 62.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.599 ' O ' HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -58.81 -23.33 60.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.669 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -94.0 -33.44 13.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ASN . 4.9 pt20 -68.68 -41.87 78.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' C ' HD13 ' A' ' 18' ' ' ILE . 86.0 mtt180 -59.14 -22.92 61.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.803 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -82.15 -59.69 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.605 ' CD1' ' CE2' ' A' ' 33' ' ' TYR . 9.4 m-85 -60.42 -13.54 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 -15.95 14.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.426 ' HA2' ' CB ' ' A' ' 35' ' ' CYS . . . -42.31 165.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.487 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 8.1 p80 -115.69 106.86 14.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.607 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.652 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 16.5 p -89.99 141.6 28.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.663 HG22 HG23 ' A' ' 32' ' ' VAL . 3.8 m -128.63 151.72 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.777 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -141.1 139.17 33.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.653 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 9.1 p30 -89.65 -81.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.653 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -123.08 -49.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.523 ' NE2' ' HG2' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -140.09 9.82 2.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.787 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -131.75 136.15 47.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.777 HG12 ' CB ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -124.14 148.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.014 HG12 HG12 ' A' ' 84' ' ' VAL . 15.4 m -130.86 113.49 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.652 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 5.0 m-85 -87.23 118.07 26.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.667 HG21 ' HB1' ' A' ' 109' ' ' ALA . 12.1 p -141.8 155.22 45.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' ASN . 44.9 t 178.89 -76.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' CYS . 1.0 OUTLIER -37.22 99.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' CYS . 40.2 t30 -139.18 -54.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -38.93 80.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.01 39.73 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.675 HG23 ' N ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -165.13 -135.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.646 1.216 . . . . 0.0 109.257 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.778 ' C ' ' HB2' ' A' ' 79' ' ' ALA . 6.0 p-10 160.43 -18.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.649 ' CE1' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -123.76 115.78 21.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 109.547 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.758 ' CZ ' ' CD2' ' A' ' 7' ' ' TYR . 45.1 p90 -54.84 -166.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' HB2' HG13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 179.06 126.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.078 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -99.1 138.43 36.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.19 -46.87 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.556 HG13 HD23 ' A' ' 45' ' ' LEU . 1.8 mt 71.75 139.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.658 ' HB3' HG23 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -148.98 140.73 23.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.724 HG13 HD12 ' A' ' 53' ' ' LEU . 2.0 t -146.66 159.6 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 23.9 t -93.38 160.16 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 2.92 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -100.13 -14.84 18.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 91' ' ' LYS . 28.1 mt -43.71 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.623 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 179.51 -116.84 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -174.34 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . . . -88.98 -22.73 22.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.13 -29.26 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.039 HD12 ' N ' ' A' ' 59' ' ' ARG . 2.7 pp -88.38 -39.57 14.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 1.039 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -73.11 -5.33 38.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -94.13 -34.67 12.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -36.12 60.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.838 ' O ' HD13 ' A' ' 66' ' ' ILE . 85.3 mt -64.07 -32.56 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -92.01 -48.03 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 7.3 ttt180 -50.45 -68.56 0.16 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.695 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -52.43 -25.72 10.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.838 HD13 ' O ' ' A' ' 62' ' ' ILE . 1.0 OUTLIER -68.13 -39.54 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 4.15 50.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 110.233 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.44 -4.7 14.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.421 ' HB2' ' OE1' ' A' ' 99' ' ' GLN . 2.5 t30 -120.75 -3.99 9.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 1.078 ' CE2' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -98.8 -33.27 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -53.37 -23.07 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.203 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.416 HG23 ' CD2' ' A' ' 73' ' ' HIS . 19.5 m -91.99 -39.25 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.593 1.183 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.798 ' CE1' HD21 ' A' ' 106' ' ' LEU . 24.2 m-70 -74.59 -12.36 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.562 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.41 -6.56 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.2 -11.47 26.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.605 ' HE2' ' CG ' ' A' ' 73' ' ' HIS . 0.8 OUTLIER -134.36 17.82 3.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.722 ' CG2' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -80.93 142.51 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 1.023 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.55 156.41 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.778 ' HB2' ' C ' ' A' ' 41' ' ' ASP . . . -39.27 114.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER 172.4 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.504 ' O ' HG22 ' A' ' 34' ' ' THR . 0.4 OUTLIER -34.42 96.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.927 HD13 HG11 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -87.93 113.25 24.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.669 ' CG2' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -140.51 98.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.014 HG12 HG12 ' A' ' 32' ' ' VAL . 3.8 m -90.94 114.76 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.658 HG23 ' HB3' ' A' ' 48' ' ' SER . 2.1 mp -102.46 149.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.781 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -94.69 118.21 31.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' ALA . 2.1 tpt180 -59.24 -146.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.527 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -86.85 -58.92 0.28 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.337 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.5 Cg_endo -74.96 6.54 3.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.797 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.668 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -62.73 -13.95 38.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.372 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.834 ' HB3' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -83.52 -25.04 31.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 7.2 m-20 -81.44 -5.47 57.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.593 ' O ' HG23 ' A' ' 94' ' ' THR . 0.0 OUTLIER -74.89 -172.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 98' ' ' ILE . 1.5 p -156.84 160.99 39.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 1.3 m -49.06 -17.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 96' ' ' LEU . 3.0 tm? -83.0 -45.9 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' C ' ' N ' ' A' ' 99' ' ' GLN . 36.3 mt-30 -72.49 -40.75 66.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.695 HG21 ' HB3' ' A' ' 65' ' ' ALA . 1.0 OUTLIER -44.91 -25.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.421 ' OE1' ' HB2' ' A' ' 69' ' ' ASN . 4.1 mm100 -88.12 -43.3 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -67.01 -9.77 42.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.404 ' CB ' HD21 ' A' ' 27' ' ' ASN . 0.5 OUTLIER -89.73 -66.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.781 ' HB3' HD23 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -45.21 -44.82 11.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -47.41 -27.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 1.041 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -111.21 -75.82 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.523 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.716 HG22 HG22 ' A' ' 32' ' ' VAL . 7.9 p -36.86 -54.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 1.033 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -63.16 -45.3 92.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.655 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 6.0 tmtt? -49.52 -26.2 3.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.241 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.041 HD11 ' CE1' ' A' ' 104' ' ' HIS . 16.7 mt -85.45 -39.19 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.901 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -53.69 -39.78 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.511 ' O ' HD21 ' A' ' 78' ' ' LEU . 3.1 tttm 82.88 31.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.033 HG22 HD13 ' A' ' 106' ' ' LEU . 11.4 m -88.93 20.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.721 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -158.3 137.54 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.636 ' H ' ' ND2' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -92.94 -39.91 10.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -46.21 -18.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.694 ' HA ' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 40.82 60.22 2.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 114' ' ' LYS . 1.2 mp -39.51 145.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.7 tttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.249 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 2.7 ptt? . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.483 0.182 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.638 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -177.37 168.03 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.663 HD11 ' CE2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -158.51 -159.13 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.515 ' H ' HD12 ' A' ' 3' ' ' LEU . 29.0 tt0 72.95 -106.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 8' ' ' ARG . 16.1 ptpt -76.4 -3.82 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 3' ' ' LEU . . . -67.6 -50.17 59.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.663 ' CE2' HD11 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -110.54 42.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.032 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -76.18 172.72 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.849 HG21 HD11 ' A' ' 83' ' ' ILE . 2.3 mm -124.47 70.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 -19.83 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -87.89 115.96 25.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -42.56 -43.69 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.92 -43.43 49.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' LYS . 31.5 m-20 -57.02 -26.84 60.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.592 ' CD2' HG22 ' A' ' 9' ' ' ILE . 1.8 m-85 -94.46 -37.12 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -38.32 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -22.53 47.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.583 HD12 ' HB2' ' A' ' 81' ' ' ASP . 1.5 mm -87.09 -54.33 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.527 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 4.7 m-85 -64.38 -12.79 46.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.07 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -59.59 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.26 12.68 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.34 173.73 3.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.162 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.526 ' CD2' HG13 ' A' ' 25' ' ' VAL . 23.3 t60 -117.67 107.34 14.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 0.806 . . . . 0.0 109.626 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.632 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 73.1 p -94.7 139.7 30.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.818 HG11 HG22 ' A' ' 108' ' ' ILE . 34.1 m -130.32 127.98 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -122.12 132.5 54.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.613 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 2.6 p-10 -85.61 -81.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.613 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -122.41 -53.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.525 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -129.51 -2.68 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -105.55 146.01 30.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.946 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -139.62 105.18 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 109' ' ' ALA . 23.0 m -102.38 132.34 48.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.65 ' CD1' ' CD1' ' A' ' 85' ' ' ILE . 3.1 m-85 -105.16 149.57 25.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.811 HG22 HG22 ' A' ' 82' ' ' ILE . 3.9 p -149.79 163.57 37.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 39.2 t -177.98 153.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 108.261 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 6.5 p-10 173.13 144.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 36' ' ' ASN . 39.8 t30 172.75 46.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.36 -78.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -167.57 130.03 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 1.048 ' CG2' ' HB1' ' A' ' 79' ' ' ALA . 5.8 tp -111.72 163.91 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 3.0 p-10 -107.4 43.2 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.59 ' H ' HG23 ' A' ' 40' ' ' ILE . 0.1 OUTLIER 86.19 151.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.555 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 36.8 p90 -46.9 86.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -75.86 91.24 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.891 HD11 ' CD2' ' A' ' 70' ' ' PHE . 1.7 mt -78.21 138.39 38.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.665 ' O ' HD12 ' A' ' 47' ' ' ILE . . . -118.58 -141.51 6.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -167.81 122.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.401 0.706 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.973 ' CB ' HG23 ' A' ' 85' ' ' ILE . 54.2 m -140.84 138.11 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 50' ' ' SER . 55.5 t -152.56 168.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.609 ' HB3' HD12 ' A' ' 53' ' ' LEU . 29.6 t -90.3 160.7 16.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -7.11 23.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -14.23 26.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.753 HD11 ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -45.92 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.842 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . -168.96 -114.58 0.3 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.16 -179.91 4.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -67.54 -22.45 65.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.7 -28.93 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.842 HD12 ' HA3' ' A' ' 54' ' ' GLY . 12.9 mt -70.91 -47.14 60.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.542 ' CB ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -79.25 -0.07 30.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.7 m-20 -100.39 -31.0 11.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.13 -16.7 34.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.392 1.057 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.001 HD11 ' O ' ' A' ' 90' ' ' ALA . 26.1 mt -88.01 -32.96 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CG ' HG12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -93.22 -16.2 25.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.369 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 6.5 ttt180 -79.41 -60.94 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.706 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -40.8 -52.32 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.778 HG13 HG11 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -53.52 -44.46 56.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ARG . 9.0 mtp-105 -68.58 -7.35 31.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.83 -13.29 14.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.417 ' O ' HG22 ' A' ' 72' ' ' VAL . 13.4 t-20 -96.03 -55.48 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.891 ' CD2' HD11 ' A' ' 45' ' ' LEU . 2.0 m-85 -60.27 -11.77 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.04 -47.4 86.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.461 ' CG2' ' CD2' ' A' ' 73' ' ' HIS . 2.7 m -74.93 -42.74 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.574 ' O ' HD13 ' A' ' 77' ' ' ILE . 74.9 m-70 -78.4 6.42 8.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -55.41 -43.16 75.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.64 -0.25 54.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.562 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -102.07 -24.33 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.59 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.616 ' CG2' ' CB ' ' A' ' 43' ' ' PHE . 1.7 mp -82.63 142.07 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -109.69 169.33 8.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 1.048 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -61.33 129.71 42.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.752 ' N ' HG21 ' A' ' 40' ' ' ILE . 9.8 mttt 167.77 118.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.792 ' OD1' HD13 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -51.25 112.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.381 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 1.04 HG21 ' CG1' ' A' ' 111' ' ' VAL . 1.6 pp -128.59 -169.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.849 HD11 HG21 ' A' ' 9' ' ' ILE . 0.2 OUTLIER 173.41 130.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.778 HG11 HG13 ' A' ' 66' ' ' ILE . 16.9 m -98.52 108.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.215 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.973 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -111.08 147.36 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.768 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -97.88 124.13 42.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.576 ' O ' ' O ' ' A' ' 86' ' ' ALA . 21.6 mmm180 -47.42 -171.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.266 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.516 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.8 OUTLIER -56.32 -50.83 85.37 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.538 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 -97.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.001 ' O ' HD11 ' A' ' 62' ' ' ILE . . . 60.08 5.18 0.73 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.498 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -96.08 -36.18 11.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -80.67 -0.4 38.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.525 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 6.3 ttp -101.24 140.23 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 97' ' ' GLN . 10.9 p -107.23 151.81 24.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.392 1.057 . . . . 0.0 110.377 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.87 ' HA ' HD12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -47.64 -23.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.6 -38.71 90.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 94' ' ' THR . 20.5 mt-30 -83.85 -17.49 40.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 95' ' ' THR . 81.9 mt -69.55 -58.04 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.27 -16.17 13.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -100.28 -18.02 17.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -91.83 -41.19 10.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.793 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -52.86 -23.9 7.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.62 1.44 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.523 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 0.7 OUTLIER -126.26 -75.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 32' ' ' VAL . 4.3 p -42.19 -52.65 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.814 HD12 ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -67.04 -39.75 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -56.22 -35.19 67.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.818 HG22 HG11 ' A' ' 25' ' ' VAL . 14.0 mt -79.84 -26.73 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.11 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -49.91 -34.57 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 15.6 tttm 88.11 20.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.04 ' CG1' HG21 ' A' ' 82' ' ' ILE . 21.9 m -90.84 26.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CD2' ' HG3' ' A' ' 115' ' ' LYS . 1.5 m-85 -127.2 125.38 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.598 ' CG ' HD12 ' A' ' 78' ' ' LEU . 69.2 m-80 -53.59 -30.22 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -155.75 -43.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 0.1 OUTLIER 95.77 87.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.38 146.66 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.235 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 mtp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.565 0.222 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.755 HD11 ' HB3' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -123.0 135.79 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER 70.88 -157.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.493 ' H ' ' CD1' ' A' ' 3' ' ' LEU . 44.1 tt0 78.78 -116.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.237 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -59.47 -7.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.363 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.897 ' HB1' ' CG ' ' A' ' 42' ' ' HIS . . . -65.59 -45.75 82.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.652 ' CE1' HD11 ' A' ' 3' ' ' LEU . 22.4 m-85 -34.64 -41.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -80.45 150.88 29.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.726 HD13 ' HB3' ' A' ' 44' ' ' ARG . 18.4 mm -61.05 102.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' ILE . 1.2 tptp -39.34 -44.96 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -161.99 159.31 26.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' PHE . 3.2 t-20 -45.67 -40.46 9.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' GLN . . . -40.54 -65.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.519 ' HB2' HG23 ' A' ' 9' ' ' ILE . 1.8 m-20 -40.42 -37.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 1.185 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -78.61 -41.61 31.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.054 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 4.7 pt20 -66.69 -44.32 82.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 37' ' ' ASN . 2.9 mpt_? -50.88 -24.17 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.663 HD12 HD12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.96 -50.09 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -64.43 -13.13 49.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -78.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -127.53 11.41 6.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.239 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.36 167.05 0.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -122.7 106.85 11.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.554 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.662 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 51.6 p -105.36 164.42 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.834 HG11 HG22 ' A' ' 108' ' ' ILE . 24.4 m -137.94 128.45 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.53 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -114.36 131.47 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.636 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 6.2 p30 -85.03 -89.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.636 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 3.4 mmt85 -115.66 -45.74 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.725 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 7.6 mt-30 -144.99 14.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.596 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -134.09 134.29 42.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.58 HG23 HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -123.32 149.07 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.07 HG12 HG12 ' A' ' 84' ' ' VAL . 14.0 m -132.63 106.32 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.662 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 4.2 m-85 -80.32 123.01 27.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.583 HG21 ' HB1' ' A' ' 109' ' ' ALA . 65.1 p -139.73 154.17 47.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.424 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.6 t -178.97 160.09 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.243 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -104.98 112.06 25.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 17' ' ' ARG . 27.6 m-80 -73.75 -90.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -119.66 30.78 6.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 67.58 76.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.345 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.674 HD11 ' NE2' ' A' ' 42' ' ' HIS . 1.3 tt -77.83 -179.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.755 ' HB3' HD11 ' A' ' 2' ' ' LEU . 25.3 m-20 -125.82 10.08 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.897 ' CG ' ' HB1' ' A' ' 6' ' ' ALA . 1.8 p-80 -146.89 152.92 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.548 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.639 ' N ' ' HA ' ' A' ' 79' ' ' ALA . 12.9 p90 -103.39 107.51 18.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 111.057 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.726 ' HB3' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -66.79 95.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -77.46 92.2 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.89 -177.18 36.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.413 1.071 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.621 ' CG1' HG21 ' A' ' 66' ' ' ILE . 1.6 mp -145.95 131.76 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 0.794 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.763 ' HB3' HG23 ' A' ' 85' ' ' ILE . 13.6 m -133.88 130.22 37.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 50' ' ' SER . 2.5 t -115.04 162.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -95.32 169.45 10.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.03 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -0.18 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -108.71 -18.84 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.785 ' CD2' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -38.66 -69.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.749 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 170.82 -109.76 0.33 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.552 ' O ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -91.49 -156.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.423 0.719 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -105.37 -19.73 13.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.8 p -70.32 -25.88 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.922 HD12 ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -85.77 -25.19 26.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.422 1.076 . . . . 0.0 109.235 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.922 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -87.89 -11.01 48.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.75 -31.4 20.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 -33.06 38.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.787 HG21 ' CB ' ' A' ' 86' ' ' ALA . 47.5 mt -72.51 -40.73 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.786 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -77.69 -26.21 50.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -72.28 -50.49 26.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.998 ' HB1' HG21 ' A' ' 98' ' ' ILE . . . -63.68 -20.2 65.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 63' ' ' LYS . 6.8 mt -64.68 -36.91 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -100.13 10.54 41.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.9 -3.38 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.345 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.56 ' O ' HG22 ' A' ' 72' ' ' VAL . 9.8 t-20 -121.92 -39.92 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.911 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.7 m-85 -73.67 5.63 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 2.52 28.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.661 HG22 ' CD2' ' A' ' 73' ' ' HIS . 1.4 m -108.0 -51.58 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.661 ' CD2' HG22 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -85.39 8.85 17.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.573 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -68.81 -9.13 49.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.47 -39.18 17.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -103.48 26.02 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -104.14 140.65 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -110.35 176.26 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.639 ' HA ' ' N ' ' A' ' 43' ' ' PHE . . . -59.52 -154.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 90.72 116.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.458 ' HB2' HD11 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -46.97 121.57 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.198 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.572 ' C ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -127.12 136.87 59.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 1.185 HD13 ' CE1' ' A' ' 15' ' ' PHE . 96.7 mt -146.46 108.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.07 HG12 HG12 ' A' ' 32' ' ' VAL . 3.5 m -93.67 110.91 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.763 HG23 ' HB3' ' A' ' 48' ' ' SER . 0.9 OUTLIER -102.79 144.17 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.787 ' CB ' HG21 ' A' ' 62' ' ' ILE . . . -89.99 115.21 27.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.542 ' O ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -54.76 -164.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -81.11 -54.17 0.73 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 87' ' ' ARG . 18.0 Cg_endo -75.08 3.84 5.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.43 1.753 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 29' ' ' GLN . . . -60.19 -15.73 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -56.78 17.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 5.1 m-20 -47.58 -30.66 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.566 ' CG ' ' HB2' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -85.43 128.21 34.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.942 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 98' ' ' ILE . 12.9 p -118.74 -171.46 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.682 ' OG1' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -54.43 -15.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -91.05 -45.45 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.566 ' HB2' ' CG ' ' A' ' 93' ' ' MET . 33.8 mt-30 -78.47 -13.07 60.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.998 HG21 ' HB1' ' A' ' 65' ' ' ALA . 0.1 OUTLIER -64.7 -54.88 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.521 ' N ' HG22 ' A' ' 98' ' ' ILE . 6.4 mt-30 -55.52 -18.34 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.88 -17.9 27.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.435 ' OG ' ' ND2' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -98.31 -51.91 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.977 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -53.9 -26.2 23.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.82 0.82 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.212 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.542 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -128.12 -75.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.893 HG22 HG22 ' A' ' 32' ' ' VAL . 6.2 p -39.02 -55.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.946 HD13 ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.82 -40.44 88.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.692 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 12.7 tttt -57.12 -17.46 10.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.834 HG22 HG11 ' A' ' 25' ' ' VAL . 2.6 mt -95.8 -39.19 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.692 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -50.36 -40.17 48.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 78.5 33.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.946 ' CG2' HD13 ' A' ' 106' ' ' LEU . 16.0 m -81.27 4.25 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.692 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 2.9 p90 -129.03 122.92 31.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.724 ' N ' HD11 ' A' ' 78' ' ' LEU . 5.3 p30 -57.43 -47.44 81.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.397 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 115' ' ' LYS . 2.8 mttt 165.4 -93.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.0 mttp 30.25 43.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 114' ' ' LYS . 0.4 OUTLIER -99.33 157.98 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 109.357 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.413 ' N ' ' CG2' ' A' ' 116' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.7 mtt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.535 0.207 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.83 -59.9 2.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.904 HD13 ' CZ ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -70.65 -160.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 6' ' ' ALA . 2.6 mm-40 -64.17 -134.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -61.27 -5.22 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 5' ' ' LYS . . . 75.62 22.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.904 ' CZ ' HD13 ' A' ' 3' ' ' LEU . 11.8 m-85 66.38 18.04 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -77.77 118.88 20.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.25 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 9' ' ' ILE . 13.3 mt -89.96 98.34 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -100.86 4.57 42.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -111.96 161.63 16.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.4 m-20 -89.08 -19.98 24.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.15 73.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 9' ' ' ILE . 8.2 m-20 -61.87 -33.39 74.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.952 ' CE1' HD13 ' A' ' 83' ' ' ILE . 1.1 m-85 -80.18 -25.74 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 tt0 -85.12 -37.68 19.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -50.52 -25.5 4.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.698 HD11 ' OD1' ' A' ' 81' ' ' ASP . 1.1 mt -88.15 -48.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CE1' ' CD2' ' A' ' 33' ' ' TYR . 7.8 m-85 -64.96 -16.69 63.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -70.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -60.23 -22.66 63.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.36 122.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.435 ' O ' ' CG ' ' A' ' 23' ' ' HIS . 0.2 OUTLIER 179.22 59.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 109.623 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.627 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 2.6 p -97.32 158.87 15.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.558 HG22 HG12 ' A' ' 32' ' ' VAL . 19.0 m -150.28 128.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . . . -113.59 106.13 14.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.621 ' OD1' ' CE1' ' A' ' 104' ' ' HIS . 11.1 t-20 -53.68 -96.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.504 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 0.6 OUTLIER -124.53 -39.81 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.798 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 20.0 mt-30 -139.58 9.78 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.589 ' HE1' HG23 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -134.79 144.84 47.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.664 HG22 ' HB ' ' A' ' 85' ' ' ILE . 1.7 m -116.84 130.1 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.079 HG11 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -119.96 120.99 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.627 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 4.2 m-85 -109.01 95.53 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.895 HG21 ' HB1' ' A' ' 109' ' ' ALA . 7.7 p -114.08 147.23 39.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -179.01 174.98 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.376 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 66.17 88.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -113.69 57.49 0.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.371 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.07 -57.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.88 56.91 2.02 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.862 ' CG2' ' HB1' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -138.01 176.57 6.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.612 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -130.96 4.95 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.612 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 0.1 OUTLIER 157.32 173.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.676 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.827 ' CZ ' ' CZ ' ' A' ' 7' ' ' TYR . 54.6 p90 -74.78 108.0 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.558 ' HE ' HD11 ' A' ' 40' ' ' ILE . 5.1 mtt180 -86.58 96.78 10.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.023 HD13 ' CD2' ' A' ' 70' ' ' PHE . 9.0 mt -77.3 115.04 16.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.445 ' O ' HD13 ' A' ' 47' ' ' ILE . . . -101.03 153.88 19.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.688 HD12 HG21 ' A' ' 66' ' ' ILE . 32.8 mm -135.75 110.49 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.702 ' CB ' HG23 ' A' ' 85' ' ' ILE . 30.6 m -141.81 175.24 9.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.727 HG12 HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -137.59 -165.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.45 ' HB3' HD12 ' A' ' 53' ' ' LEU . 40.3 t -102.09 168.21 9.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -4.46 43.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -24.24 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.729 HD23 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -82.71 -104.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.454 ' N ' HD21 ' A' ' 58' ' ' LEU . . . 52.25 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.681 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -175.44 170.69 2.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 0.73 . . . . 0.0 109.253 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 60' ' ' ASN . . . -95.18 -21.51 18.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -81.05 -31.67 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.963 HD12 ' N ' ' A' ' 59' ' ' ARG . 4.1 pp -85.34 -45.68 11.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.963 ' N ' HD12 ' A' ' 58' ' ' LEU . 14.2 ttp180 -64.93 -8.44 15.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.1 m-20 -93.01 -14.95 26.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.748 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -115.22 -11.28 12.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.7 HG21 ' HB2' ' A' ' 86' ' ' ALA . 97.2 mt -108.71 -29.08 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -98.08 -15.95 19.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 8.1 ttt180 -70.51 -52.27 23.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.691 ' HB3' ' CG2' ' A' ' 98' ' ' ILE . . . -71.29 -23.37 61.94 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.962 HD12 HD11 ' A' ' 102' ' ' LEU . 0.7 OUTLIER -72.48 -37.82 58.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 10.12 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.28 -28.54 12.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -108.01 -9.76 15.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 1.023 ' CD2' HD13 ' A' ' 45' ' ' LEU . 2.1 m-30 -81.6 -8.24 59.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.69 -4.12 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -117.34 -45.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.685 ' HB3' HD13 ' A' ' 77' ' ' ILE . 77.7 m80 -76.21 -7.76 55.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 1.5 tttm -45.21 -31.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -96.21 -21.97 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.942 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.524 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -76.01 -21.78 56.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' A' ' 73' ' ' HIS . 1.6 mp -95.57 144.29 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.831 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.91 175.14 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.862 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -55.67 133.61 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.61 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 155.43 110.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.73 ' H ' HD13 ' A' ' 40' ' ' ILE . 3.8 t0 -41.75 103.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.771 HD12 HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -116.22 148.65 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.952 HD13 ' CE1' ' A' ' 15' ' ' PHE . 18.3 mt -154.57 114.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.916 HG12 HG22 ' A' ' 32' ' ' VAL . 4.1 m -100.67 94.72 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.702 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -91.07 143.75 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.7 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -86.16 121.26 28.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.71 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -57.1 -161.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.633 ' HB3' ' HD3' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -81.61 -55.83 0.61 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.71 ' HD2' ' HB3' ' A' ' 87' ' ' ARG . 18.0 Cg_endo -75.03 6.6 3.31 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' A' ' 29' ' ' GLN . . . -70.15 -4.72 22.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.572 ' CB ' HD21 ' A' ' 53' ' ' LEU . 3.9 ptpp? -83.92 -29.81 26.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.5 0.1 35.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.459 ' CE ' HG13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -75.95 -167.04 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.711 ' O ' HD12 ' A' ' 98' ' ' ILE . 63.4 p -150.3 169.12 22.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -9.31 7.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.475 HD13 ' ND2' ' A' ' 100' ' ' ASN . 1.4 tm? -95.63 -42.34 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -60.72 -58.99 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.748 HD13 ' O ' ' A' ' 61' ' ' LYS . 2.0 mp -37.18 -58.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.601 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 46.9 mt-30 -53.06 -44.81 67.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.475 ' ND2' HD13 ' A' ' 96' ' ' LEU . 39.8 m-20 -68.25 -24.2 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' HIS . 5.1 p -73.69 -56.71 4.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 66' ' ' ILE . 1.4 mp -47.49 -34.61 7.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.33 -4.97 6.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 110.343 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.633 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -130.7 -72.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.565 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.963 HG22 ' HB ' ' A' ' 32' ' ' VAL . 11.7 p -39.11 -53.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.774 HD23 ' HB3' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -71.89 -40.96 68.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.49 -40.71 27.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.528 HD11 ' NE2' ' A' ' 104' ' ' HIS . 54.8 mt -70.84 -45.5 73.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.079 ' HB2' HG11 ' A' ' 32' ' ' VAL . . . -37.39 -44.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 2.7 ttmt 91.28 24.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.692 ' CG2' HD13 ' A' ' 106' ' ' LEU . 32.3 m -84.26 17.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.502 ' CE2' HD11 ' A' ' 106' ' ' LEU . 5.7 m-85 -107.02 119.57 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.831 ' N ' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -48.59 -47.73 39.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.585 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -138.22 -41.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 0.2 OUTLIER 94.19 88.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.73 147.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.223 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.3 tttt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mmt . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.481 0.182 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -68.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 4' ' ' GLU . 1.5 tm? -133.23 155.56 49.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.713 ' N ' HD13 ' A' ' 3' ' ' LEU . 2.9 mm-40 -110.18 -133.57 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.4 OUTLIER -66.44 -6.03 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.624 ' HA ' HD11 ' A' ' 3' ' ' LEU . . . 72.04 22.65 3.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 42' ' ' HIS . 9.9 m-85 65.05 23.23 12.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -73.0 133.17 44.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.01 HG21 ' CB ' ' A' ' 14' ' ' ASP . 1.4 mt -101.23 -155.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.728 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.1 OUTLIER 161.04 -26.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HG3' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -62.46 139.5 58.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.2 t-20 -59.3 -21.91 60.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.386 1.054 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB3' ' HG3' ' A' ' 11' ' ' LYS . . . -63.7 -67.34 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 1.01 ' CB ' HG21 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -58.56 -16.04 13.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -94.03 -20.61 19.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 tt0 -89.51 -53.19 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -42.63 -26.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.687 HG22 ' HD1' ' A' ' 33' ' ' TYR . 1.6 mt -90.65 -47.26 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.796 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 4.6 m-85 -68.52 -6.54 25.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -92.24 -79.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.24 -20.95 16.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 18' ' ' ILE . . . -49.96 177.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -139.75 126.3 20.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.573 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.565 ' HB3' ' CD1' ' A' ' 33' ' ' TYR . 85.7 p -115.31 157.37 23.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.049 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.726 HG22 HG23 ' A' ' 32' ' ' VAL . 30.7 m -130.01 124.89 59.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -115.1 137.1 52.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.215 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.739 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 1.2 p-10 -102.94 -59.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.739 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -130.8 -74.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.537 ' NE2' ' HB2' ' A' ' 93' ' ' MET . 0.0 OUTLIER -124.78 10.25 8.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.751 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.3 OUTLIER -120.65 125.17 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.18 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -117.53 104.19 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.022 HG12 HG12 ' A' ' 84' ' ' VAL . 16.4 m -91.9 125.14 44.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.796 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 1.4 m-85 -97.56 128.73 44.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.95 HG21 ' HB1' ' A' ' 109' ' ' ALA . 21.6 p -143.1 141.63 31.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.346 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 0.1 OUTLIER 174.9 172.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 108.293 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 10.7 t-20 79.1 103.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.09 24.53 12.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.613 1.195 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.23 148.24 32.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 47.8 75.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.234 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.781 HD11 ' HA ' ' A' ' 80' ' ' LYS . 2.9 tp -94.48 167.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 7.0 t70 -137.08 33.06 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.747 ' HA ' ' HB2' ' A' ' 79' ' ' ALA . 16.9 m80 79.92 164.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.62 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 20.7 p90 -55.13 112.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.56 ' CD ' HD11 ' A' ' 9' ' ' ILE . 23.9 mtt180 -90.39 -176.02 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.18 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -157.44 113.38 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.99 -60.4 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.538 HG23 ' HD3' ' A' ' 63' ' ' LYS . 19.9 mt 70.38 109.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 1.013 ' CB ' HG23 ' A' ' 85' ' ' ILE . 5.7 m -139.38 160.39 39.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.661 HG13 HD13 ' A' ' 53' ' ' LEU . 75.7 t -150.39 166.84 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.533 ' N ' HG12 ' A' ' 49' ' ' VAL . 2.3 t -94.72 165.44 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -103.54 2.77 33.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' LEU . 2.7 mttt -110.53 -14.66 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.661 HD13 HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -37.12 -73.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.98 -111.19 0.42 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -99.03 177.42 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.51 -25.27 65.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 p -50.86 -41.0 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.89 -44.22 61.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.436 ' CZ ' ' HB ' ' A' ' 49' ' ' VAL . 14.3 ttm-85 -66.72 -9.87 40.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.6 m-20 -97.2 -34.76 10.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 4.0 mttp -76.81 -37.12 56.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.035 HG21 ' HB2' ' A' ' 86' ' ' ALA . 88.4 mt -72.3 -26.66 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.568 ' CE ' HG22 ' A' ' 62' ' ' ILE . 11.0 mmpt? -96.89 -18.32 19.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 8.4 ttt180 -81.94 -66.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.762 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -47.26 -41.37 18.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.874 ' CD1' HD11 ' A' ' 102' ' ' LEU . 4.9 tp -67.05 -33.36 62.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -80.97 -2.13 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.75 -16.48 14.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -100.53 -27.33 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 1.18 ' CE2' HD21 ' A' ' 45' ' ' LEU . 1.4 m-85 -78.41 -40.44 35.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -66.44 -42.16 88.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 73' ' ' HIS . 7.7 p -69.93 -51.86 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.514 ' N ' HG13 ' A' ' 72' ' ' VAL . 73.4 m80 -84.3 13.37 5.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.576 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' PHE . 33.5 ttpt -52.08 -36.57 51.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.41 16.89 24.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.657 ' CD2' ' HB ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -120.46 4.96 10.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.594 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.602 ' C ' HD13 ' A' ' 78' ' ' LEU . 1.3 mp -113.44 156.1 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.966 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -111.61 176.7 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.747 ' HB2' ' HA ' ' A' ' 42' ' ' HIS . . . -78.74 131.62 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.781 ' HA ' HD11 ' A' ' 40' ' ' ILE . 1.2 mtpp 163.97 118.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -34.92 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.67 ' CG1' HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -111.06 124.54 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.771 HG22 HD11 ' A' ' 85' ' ' ILE . 23.0 mt -145.29 111.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.022 HG12 HG12 ' A' ' 32' ' ' VAL . 2.6 m -102.49 128.31 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.013 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -111.81 158.02 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.035 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -89.44 40.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER 37.59 -91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 86' ' ' ALA . 1.2 mt-30 -166.59 -59.04 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.01 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -49.42 -21.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.532 ' HA ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -55.55 -20.63 13.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -98.14 15.59 23.85 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.537 ' HB2' ' NE2' ' A' ' 29' ' ' GLN . 7.0 ttp -106.97 147.87 29.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.468 ' N ' ' HG2' ' A' ' 93' ' ' MET . 1.0 OUTLIER -115.51 150.75 36.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.904 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.2 m -47.41 -21.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.3 tm? -69.48 -38.59 77.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 94' ' ' THR . 23.3 mt-30 -80.45 -36.83 33.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 95' ' ' THR . 72.4 mt -48.46 -33.75 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -38.06 44.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -70.24 -43.31 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.433 ' O ' HG12 ' A' ' 105' ' ' VAL . 24.4 m -63.66 -49.72 72.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.874 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.2 OUTLIER -53.96 -31.25 50.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.86 -0.45 16.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 1.111 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -130.68 -74.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.599 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.801 HG22 HG22 ' A' ' 32' ' ' VAL . 9.7 p -35.51 -54.96 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.99 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.46 -41.83 88.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.621 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 8.6 tttt -48.38 -24.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.602 1.189 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.111 HD11 ' CE1' ' A' ' 104' ' ' HIS . 13.8 mt -87.66 -41.2 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.95 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -58.0 -38.97 77.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 74.0 34.67 0.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.99 HG22 HD13 ' A' ' 106' ' ' LEU . 28.5 m -90.66 7.28 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.792 ' CD1' HD11 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -137.06 119.81 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.72 ' N ' HD11 ' A' ' 78' ' ' LEU . 42.7 m-80 -36.27 -47.02 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.62 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 175.46 -80.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 116' ' ' ILE . 0.8 OUTLIER 172.05 94.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.657 ' HB ' ' CD2' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -36.81 144.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.231 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.57 ' O ' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.509 0.195 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER 160.78 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.116 HD11 ' CE1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -111.67 -175.36 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.361 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.747 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 3.2 tt0 -147.23 -147.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.338 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 7' ' ' TYR . 7.0 pttt -57.61 -5.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 4' ' ' GLU . . . -38.15 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 1.116 ' CE1' HD11 ' A' ' 3' ' ' LEU . 17.8 m-85 -48.19 -19.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 6' ' ' ALA . 10.3 ptp180 -76.55 138.84 40.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.831 HG23 ' HB2' ' A' ' 14' ' ' ASP . 7.2 mm -68.4 88.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -71.89 -45.4 61.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -89.54 136.28 33.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -64.44 -37.24 86.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.99 -50.19 28.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.831 ' HB2' HG23 ' A' ' 9' ' ' ILE . 67.6 m-20 -51.84 -32.99 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.746 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.54 -41.0 16.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 111.037 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 3.1 pt20 -66.26 -43.78 85.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -46.56 -36.7 7.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.532 HD12 HG13 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -75.88 -51.33 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.32 -14.03 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.15 -89.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' GLY . 14.0 mttt -126.87 14.96 7.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -51.13 -174.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -130.42 113.66 14.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.631 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.592 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 25.3 p -111.4 151.08 28.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.969 HG11 HG22 ' A' ' 108' ' ' ILE . 17.9 m -132.8 126.35 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -111.84 139.34 47.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.391 1.057 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.493 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 37.1 p-10 -120.14 -144.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -33.16 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.466 ' HG3' ' C ' ' A' ' 28' ' ' ARG . 0.6 OUTLIER -138.88 36.71 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.716 ' HB3' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -133.31 149.66 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.573 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -138.45 106.56 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.772 HG12 HG12 ' A' ' 84' ' ' VAL . 21.8 m -102.71 123.13 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.592 ' CD1' ' HB2' ' A' ' 24' ' ' SER . 3.2 m-85 -106.16 122.25 45.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.82 HG21 ' HB1' ' A' ' 109' ' ' ALA . 60.9 p -132.53 161.39 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.474 ' HB3' HG23 ' A' ' 18' ' ' ILE . 13.5 p -150.81 153.73 35.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 108.268 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -46.5 134.62 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.991 ' OD1' HG22 ' A' ' 40' ' ' ILE . 30.4 t-20 -40.29 130.09 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -90.86 23.31 3.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER 88.99 45.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.991 HG22 ' OD1' ' A' ' 37' ' ' ASN . 4.2 tp -105.67 -138.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.826 ' N ' HG23 ' A' ' 40' ' ' ILE . 4.1 p-10 156.89 18.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.782 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 43.9 m-70 -143.48 8.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.616 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.924 ' CE2' ' CE1' ' A' ' 7' ' ' TYR . 25.4 p90 47.92 153.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.505 ' HB3' HD13 ' A' ' 9' ' ' ILE . 40.8 mtm180 -143.34 99.05 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.378 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.854 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.64 137.74 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.474 ' C ' HD12 ' A' ' 47' ' ' ILE . . . -108.65 178.45 21.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.858 HG23 HG21 ' A' ' 66' ' ' ILE . 3.3 mp -139.56 109.9 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.909 ' CB ' HG23 ' A' ' 85' ' ' ILE . 40.4 m -126.31 161.06 28.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.929 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.672 HG13 HD13 ' A' ' 53' ' ' LEU . 77.7 t -146.59 167.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.533 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -93.45 170.49 9.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.77 -2.59 19.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -103.95 -14.76 15.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.68 HD21 HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.15 -78.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.613 1.196 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 58' ' ' LEU . . . 177.15 -109.09 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.487 ' N ' HD12 ' A' ' 58' ' ' LEU . 1.4 t30 -100.03 176.8 5.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.99 -24.34 66.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.94 -41.06 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.494 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 2.9 mt -69.9 -44.63 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.654 ' HG3' HG21 ' A' ' 49' ' ' VAL . 37.5 ttt180 -68.49 -8.26 39.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 1.4 m-20 -98.6 -29.02 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -34.75 22.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.087 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.857 HG21 ' HB2' ' A' ' 86' ' ' ALA . 85.3 mt -74.39 -39.72 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HG2' HG22 ' A' ' 47' ' ' ILE . 24.8 mttt -70.37 -58.64 3.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 12.4 ptp180 -49.15 -41.43 36.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.639 ' HB1' HG21 ' A' ' 98' ' ' ILE . . . -74.67 -28.11 60.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.858 HG21 HG23 ' A' ' 47' ' ' ILE . 6.4 mt -74.99 -33.13 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -96.85 10.8 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -121.05 -2.49 9.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.726 ' CB ' HD13 ' A' ' 102' ' ' LEU . 20.3 t-20 -96.54 -63.69 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.608 ' CE2' HG12 ' A' ' 77' ' ' ILE . 1.5 m-85 -57.63 -22.61 46.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -52.68 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.609 1.193 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 69' ' ' ASN . 2.5 m -75.01 -42.55 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.595 ' HA ' ' CG ' ' A' ' 76' ' ' HIS . 87.9 m-70 -78.56 6.57 8.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 70' ' ' PHE . 15.9 ttpt -47.5 -55.18 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.06 -1.05 18.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.595 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -103.15 -10.57 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.649 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.608 HG12 ' CE2' ' A' ' 70' ' ' PHE . 1.5 mp -98.67 152.2 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.834 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -120.02 148.49 43.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.075 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.597 ' HB1' HG23 ' A' ' 40' ' ' ILE . . . -45.16 109.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -178.22 108.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -38.69 123.72 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.905 HD11 HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -140.61 156.73 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.824 ' N ' HD13 ' A' ' 82' ' ' ILE . 27.2 mt -154.4 107.11 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.905 HG13 HD11 ' A' ' 82' ' ' ILE . 10.3 m -90.03 110.08 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.909 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -109.86 163.26 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.857 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -115.53 107.19 14.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.619 1.2 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.696 ' CB ' ' HD2' ' A' ' 89' ' ' PRO . 5.4 mtp180 -53.92 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.672 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -78.63 -41.09 1.78 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.696 ' HD2' ' CB ' ' A' ' 87' ' ' ARG . 18.5 Cg_endo -74.9 4.71 4.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.752 . . . . 0.0 111.016 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.458 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -73.92 -11.82 60.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.93 -34.62 66.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -80.39 2.9 23.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.429 ' HB2' ' CD ' ' A' ' 29' ' ' GLN . 2.9 ttp -106.28 130.88 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' GLN . 5.0 p -99.94 153.38 19.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.424 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.2 m -46.23 -23.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.412 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -68.1 -41.25 82.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' THR . 25.2 mt-30 -80.35 -16.34 54.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.639 HG21 ' HB1' ' A' ' 65' ' ' ALA . 8.9 mt -65.34 -56.63 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -58.56 -25.99 63.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -90.4 -16.53 28.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' GLN . 17.3 m -89.8 -46.63 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.726 HD13 ' CB ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -53.38 -25.95 17.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.84 -0.01 14.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 110.247 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.629 ' CE1' HD11 ' A' ' 108' ' ' ILE . 1.1 t-80 -127.35 -75.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.733 HG22 HG22 ' A' ' 32' ' ' VAL . 4.6 p -38.78 -52.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.983 HD11 ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -67.79 -43.53 79.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -54.02 -22.01 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.969 HG22 HG11 ' A' ' 25' ' ' VAL . 2.6 mt -88.32 -33.84 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.82 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -55.18 -37.46 67.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.1 OUTLIER 94.1 19.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.913 HG22 HD13 ' A' ' 106' ' ' LEU . 2.8 m -97.27 29.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.983 ' CD2' HD11 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -132.02 113.42 13.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.834 ' N ' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -52.42 -53.67 42.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 3.1 tttt -131.06 -37.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.626 ' HB2' ' CG ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER 72.96 90.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.77 144.15 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.504 0.192 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.12 -134.4 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.015 HD21 ' CZ ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -112.49 -176.05 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.635 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 11.3 tt0 -148.9 -133.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 7' ' ' TYR . 14.5 ptpt -57.71 -6.79 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.736 ' HB1' ' CG ' ' A' ' 42' ' ' HIS . . . -45.49 -24.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 1.015 ' CZ ' HD21 ' A' ' 3' ' ' LEU . 44.1 m-85 -47.55 -21.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 1.7 ptt180 -117.21 158.25 24.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.644 HD12 ' CG ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -57.17 111.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -40.93 72.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.588 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -155.39 163.16 40.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -45.13 -47.58 12.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.87 -47.75 21.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 1.6 m-20 -59.76 -30.6 68.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.876 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -82.07 -35.98 28.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' TYR . 1.3 mt-30 -67.16 -53.62 28.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 110.263 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -40.45 -28.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 1.028 HD12 HD11 ' A' ' 83' ' ' ILE . 1.4 mt -84.31 -48.5 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLN . 5.8 m-85 -62.96 -10.89 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -87.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -34.74 77.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 18' ' ' ILE . . . -61.42 143.96 48.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.465 ' CE1' ' OG1' ' A' ' 34' ' ' THR . 22.0 p80 -94.73 -154.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 0.73 . . . . 0.0 109.568 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.632 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 78.7 p -174.58 146.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.858 HG11 HG22 ' A' ' 108' ' ' ILE . 21.3 m -121.54 -141.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 159.64 136.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.675 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 6.9 p-10 -96.24 -78.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.675 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 28.2 mmt180 -123.66 -55.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 1.4 pm0 -132.6 -0.7 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -116.85 148.1 41.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.939 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -134.61 138.81 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.992 HG12 HG12 ' A' ' 84' ' ' VAL . 15.6 m -120.22 120.69 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.632 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 5.7 m-85 -95.81 117.65 30.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.924 HG21 ' HB1' ' A' ' 109' ' ' ALA . 70.4 p -125.56 158.64 34.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.7 p -92.09 140.8 29.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 108.28 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 37' ' ' ASN . 1.7 t30 -99.46 149.12 23.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 10.4 p30 46.54 -172.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER 85.82 -48.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.92 118.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.544 ' CG2' ' N ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -110.48 -179.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.435 1.085 . . . . 0.0 109.368 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.502 ' C ' ' CB ' ' A' ' 79' ' ' ALA . 43.6 t0 -119.08 -11.11 9.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.844 ' HB3' HD12 ' A' ' 3' ' ' LEU . 1.8 p80 -134.46 145.8 49.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.653 ' CZ ' ' CE1' ' A' ' 7' ' ' TYR . 11.2 p90 -102.21 94.59 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.69 ' O ' HG23 ' A' ' 82' ' ' ILE . 2.1 mtm-85 -54.75 137.1 45.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.02 HD11 ' CD2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -118.12 90.03 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.632 ' O ' HG23 ' A' ' 83' ' ' ILE . . . -112.59 133.01 11.09 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.788 HG21 ' HB2' ' A' ' 63' ' ' LYS . 4.8 mp -113.86 126.86 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.404 0.708 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.901 ' CB ' HG23 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -115.85 154.42 29.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.664 HG21 ' HB2' ' A' ' 59' ' ' ARG . 45.8 t -138.74 151.54 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -93.55 165.33 12.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.934 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -95.16 0.44 54.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.04 -19.91 14.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.959 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -41.66 -73.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.622 ' CA ' HD21 ' A' ' 58' ' ' LEU . . . 169.52 -110.74 0.39 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 -167.2 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -95.43 -22.08 17.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.66 -30.44 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 1.055 HD12 ' N ' ' A' ' 59' ' ' ARG . 1.2 pp -80.0 -33.54 39.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 1.055 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -75.06 -11.31 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.529 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -88.69 -36.3 16.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -82.07 -12.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.032 HD11 ' O ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -90.76 -33.98 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.788 ' HB2' HG21 ' A' ' 47' ' ' ILE . 7.4 tmtt? -89.58 -50.79 5.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.535 ' HA ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -58.23 -17.48 19.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.731 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -79.26 -51.04 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.935 HG12 HD21 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -65.5 -35.51 75.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -73.26 -7.16 50.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.24 -43.18 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.498 ' O ' ' CG1' ' A' ' 72' ' ' VAL . 21.9 t-20 -71.09 -57.56 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 1.02 ' CD2' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -51.55 -16.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 110.962 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 67' ' ' ARG . 3.6 tptt -79.18 -29.86 43.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -95.44 -41.24 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.546 ' O ' HD13 ' A' ' 77' ' ' ILE . 75.3 m80 -81.71 6.85 14.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.11 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -49.01 -38.7 24.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.618 1.199 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.7 m -80.34 -18.48 48.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 73' ' ' HIS . 0.2 OUTLIER -87.92 -20.55 25.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.595 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 73' ' ' HIS . 1.3 mp -79.82 164.07 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.759 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -146.29 152.67 39.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.596 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -38.92 131.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.596 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 6.2 mttp 155.19 104.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -41.66 130.27 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.872 ' HB ' HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -143.1 149.91 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 1.028 HD11 HD12 ' A' ' 18' ' ' ILE . 5.1 mt -153.36 116.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.055 ' C ' HD13 ' A' ' 85' ' ' ILE . 16.5 m -94.72 130.87 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.055 HD13 ' C ' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -119.77 153.71 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -106.49 106.14 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.54 ' CB ' ' HD2' ' A' ' 89' ' ' PRO . 10.6 mtm180 -53.92 -168.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 1.9 mt-30 -75.12 -46.78 4.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.3 Cg_endo -75.06 6.6 3.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.566 1.824 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.032 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -89.8 -3.18 58.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.591 ' HA ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -75.48 -34.32 60.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -94.49 22.27 6.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.225 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.518 ' CE ' HG12 ' A' ' 98' ' ' ILE . 4.8 ttp -97.52 156.74 16.36 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.543 1.152 . . . . 0.0 111.068 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.444 ' N ' ' HG2' ' A' ' 93' ' ' MET . 0.8 OUTLIER -118.02 150.12 39.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.795 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.6 m -47.47 -22.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.66 -40.49 72.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 93' ' ' MET . 24.8 mt-30 -83.06 -10.67 58.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 95' ' ' THR . 24.4 mt -84.96 -44.01 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -75.17 -10.1 59.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -98.82 -12.15 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 105' ' ' VAL . 58.3 m -88.25 -45.41 10.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.935 HD21 HG12 ' A' ' 66' ' ' ILE . 1.4 mp -47.89 -44.46 29.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 107' ' ' LYS . 10.6 pt-20 -52.25 -22.63 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 1.084 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -115.73 -74.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.63 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.587 ' HB ' ' CG ' ' A' ' 27' ' ' ASN . 3.7 p -38.76 -52.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.864 HD21 ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -63.78 -43.48 96.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 104' ' ' HIS . 1.2 pttt -49.32 -33.7 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.084 HD11 ' CE1' ' A' ' 104' ' ' HIS . 18.6 mt -77.48 -33.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.924 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -52.48 -32.92 42.27 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.2 OUTLIER 84.82 17.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.872 HG11 ' HB ' ' A' ' 82' ' ' ILE . 5.4 m -95.03 27.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.864 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -124.87 104.82 8.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.667 ' H ' HD12 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -75.2 -50.23 16.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' H ' ' ND2' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -78.77 -21.0 48.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.8 pttm 39.85 51.06 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.0 146.35 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.8 tttt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.487 0.184 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 3' ' ' LEU . 72.6 mt 54.06 99.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.9 HD11 ' HA ' ' A' ' 6' ' ' ALA . 23.1 tp 57.39 155.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.757 ' H ' HD12 ' A' ' 3' ' ' LEU . 2.1 mm-40 -97.35 -132.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 8.7 pttm -61.78 -6.3 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.9 ' HA ' HD11 ' A' ' 3' ' ' LEU . . . 71.8 22.66 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.55 ' CE2' ' CE1' ' A' ' 43' ' ' PHE . 9.5 m-85 61.24 21.17 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.516 ' HG3' ' HB3' ' A' ' 6' ' ' ALA . 5.6 mtt180 -73.48 134.27 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.713 HG21 ' CG ' ' A' ' 15' ' ' PHE . 2.2 mm -49.81 93.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -81.65 -35.48 29.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.606 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -98.03 162.77 13.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' PHE . 6.6 m-20 -76.11 -50.78 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . . . -47.19 -51.95 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' HB3' HG23 ' A' ' 9' ' ' ILE . 8.7 m-20 -49.78 -26.3 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.735 ' HE1' HG21 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -94.59 -39.81 10.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.923 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 17' ' ' ARG . 1.9 pp0? -65.63 -34.37 78.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -60.97 -31.63 71.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.622 HG13 HD11 ' A' ' 83' ' ' ILE . 5.8 mm -74.33 -65.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -52.58 -18.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 10.68 9.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -47.63 159.97 0.48 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.449 ' NE2' ' CG1' ' A' ' 25' ' ' VAL . 7.3 t60 -112.11 103.05 11.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -83.23 152.18 25.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG22 HG23 ' A' ' 32' ' ' VAL . 24.6 m -142.72 125.91 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -121.22 134.45 55.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.836 ' ND2' ' H ' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -94.94 -58.16 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.836 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 5.8 mtp85 -128.37 -75.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.532 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -119.76 -4.62 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.881 ' HB3' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -100.42 155.6 17.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -145.81 105.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.997 HG12 HG12 ' A' ' 84' ' ' VAL . 34.0 m -98.66 134.29 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 24' ' ' SER . 18.4 m-85 -103.92 131.97 50.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.991 HG21 ' HB1' ' A' ' 109' ' ' ALA . 66.6 p -147.63 151.69 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -176.05 173.77 2.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 108.347 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -151.13 86.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.92 -39.86 63.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -148.2 -67.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -175.64 120.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.903 ' CG2' ' HB1' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -78.96 -166.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.504 ' C ' ' CG ' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -142.97 16.19 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.647 ' H ' HG23 ' A' ' 40' ' ' ILE . 0.4 OUTLIER 165.35 160.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.513 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 41.0 p90 -79.37 109.06 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.68 ' NE ' HD11 ' A' ' 40' ' ' ILE . 40.9 mtm180 -81.68 108.82 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.625 HD21 ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -80.84 108.69 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 1.032 ' O ' HD13 ' A' ' 47' ' ' ILE . . . -115.27 147.0 18.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.032 HD13 ' O ' ' A' ' 46' ' ' GLY . 0.9 OUTLIER -139.25 137.77 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.996 ' CB ' HG23 ' A' ' 85' ' ' ILE . 1.2 m -142.4 -172.94 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 48' ' ' SER . 3.0 t -162.96 164.18 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.51 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 28.4 t -98.25 162.66 13.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.058 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.1 2.09 48.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -15.66 15.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.747 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -45.11 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.05 -109.4 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 t30 -81.03 -169.95 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 0.729 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . -106.75 -21.01 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -67.81 -32.95 58.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' A' ' 91' ' ' LYS . 1.4 pt? -81.47 -44.41 17.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.533 ' HB2' HG11 ' A' ' 49' ' ' VAL . 25.6 ptt180 -65.36 -11.87 46.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -84.56 -30.35 25.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -75.58 -31.57 60.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.889 HG21 ' HB2' ' A' ' 86' ' ' ALA . 65.4 mt -70.74 -26.36 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.711 ' HG2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -99.24 -38.7 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' ARG . 11.9 ttt180 -57.39 -67.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -39.67 -42.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.861 HG13 HG21 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -59.66 -47.71 90.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -70.5 -4.72 24.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -117.8 -2.46 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.759 ' OD1' HD22 ' A' ' 102' ' ' LEU . 16.4 t-20 -116.46 -43.91 2.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.625 ' CD2' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -77.01 1.13 18.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 111.055 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -82.51 -37.7 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' NE2' ' A' ' 76' ' ' HIS . 3.0 m -82.49 -40.48 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.661 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 57.5 m-70 -68.73 -4.38 15.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.635 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.486 ' HA ' HG13 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -66.19 -17.84 64.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.616 ' C ' ' CD2' ' A' ' 76' ' ' HIS . 5.7 t -94.21 21.91 6.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.947 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.699 ' N ' ' CD2' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -155.3 28.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.59 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.642 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -114.12 161.0 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.812 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -129.37 173.6 10.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.903 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -63.28 122.5 16.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.327 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.661 ' N ' HG21 ' A' ' 40' ' ' ILE . 8.2 mttt 166.08 108.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 2.1 p30 -39.34 127.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -133.01 138.61 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.735 HG21 ' HE1' ' A' ' 15' ' ' PHE . 2.2 mt -152.88 116.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.065 ' C ' HD13 ' A' ' 85' ' ' ILE . 3.5 m -97.56 121.95 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.065 HD13 ' C ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -115.86 158.79 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.889 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -95.32 102.28 14.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.517 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 1.5 mmm180 -35.1 -70.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.626 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 168.85 -43.44 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.05 2.98 6.05 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.667 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -74.75 -25.44 59.09 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.936 ' HA ' HD12 ' A' ' 58' ' ' LEU . 23.2 pttt -40.59 -38.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -105.49 56.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.667 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 3.8 ttp -135.09 143.65 46.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.467 ' N ' ' HG2' ' A' ' 93' ' ' MET . 2.5 p -100.07 148.14 24.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.784 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.3 m -48.94 -23.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.4 -39.53 94.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -79.48 -16.74 55.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 95' ' ' THR . 92.6 mt -72.56 -63.86 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.77 -15.92 14.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -85.91 -35.86 20.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -80.65 -32.89 36.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.759 HD22 ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -53.62 -29.7 39.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.11 0.64 15.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.667 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -130.06 -73.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.881 HG21 ' HB3' ' A' ' 30' ' ' PHE . 1.3 p -39.72 -50.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.975 HD21 ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -72.89 -40.46 65.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -27.33 20.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.667 HD11 ' CE1' ' A' ' 104' ' ' HIS . 5.0 mt -83.77 -41.69 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.991 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -42.22 -31.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 tttt 78.45 35.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.691 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 33.9 m -101.39 4.37 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.975 ' CZ ' HD21 ' A' ' 106' ' ' LEU . 6.4 m-30 -116.24 122.87 46.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.675 ' N ' HD11 ' A' ' 78' ' ' LEU . 29.4 m-80 -34.78 -40.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.31 -92.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.47 81.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.74 143.99 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.526 0.203 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -42.12 144.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.217 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.984 HD21 ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -66.13 173.91 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.679 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 12.2 tt0 -152.78 -132.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 7' ' ' TYR . 5.5 ptpt -54.54 -6.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.568 ' H ' ' C ' ' A' ' 4' ' ' GLU . . . -46.16 -24.48 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.984 ' CZ ' HD21 ' A' ' 3' ' ' LEU . 45.2 m-85 -49.24 -18.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 6' ' ' ALA . 0.5 OUTLIER -115.7 156.33 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.746 HG22 ' N ' ' A' ' 10' ' ' LYS . 10.5 mt -94.16 -109.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.588 1.18 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.746 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 94.06 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 10.9 tttp -79.14 130.32 35.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.401 1.063 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' GLN . 14.3 t30 -57.27 -56.08 26.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.64 62.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.607 ' HB3' HG23 ' A' ' 9' ' ' ILE . 56.9 t0 -57.16 -17.9 13.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.63 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -102.2 -33.35 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -74.05 -37.14 64.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.6 -27.57 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.599 HD12 HD11 ' A' ' 83' ' ' ILE . 1.1 mt -89.72 -47.75 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -66.84 -9.52 38.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -61.03 -81.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 22' ' ' GLY . 1.3 mttp -132.81 14.45 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -47.73 176.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.418 1.074 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -115.73 107.82 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.614 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.669 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 82.5 p -95.18 157.43 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.713 ' CG2' HG23 ' A' ' 32' ' ' VAL . 28.1 m -144.42 124.78 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.369 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.29 138.94 49.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' CG ' ' ND1' ' A' ' 104' ' ' HIS . 6.5 t30 -96.61 -90.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 3.7 mtt180 -113.14 -59.4 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 90' ' ' ALA . 8.1 mt-30 -133.43 16.43 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.71 ' HZ ' HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -136.12 138.7 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.95 135.96 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.963 HG12 HG12 ' A' ' 84' ' ' VAL . 18.1 m -119.8 118.34 56.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.669 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 4.5 m-85 -98.89 119.34 37.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.42 1.075 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.807 HG21 ' HB1' ' A' ' 109' ' ' ALA . 4.4 p -143.99 168.84 19.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.416 ' C ' ' OD2' ' A' ' 81' ' ' ASP . 1.7 t -175.96 178.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 108.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 8.4 m-20 -119.3 -52.21 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 5.7 t-20 76.58 -67.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -163.12 46.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.65 131.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.677 HD13 ' OD1' ' A' ' 81' ' ' ASP . 0.2 OUTLIER -107.38 -168.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' HG23 ' A' ' 40' ' ' ILE . 1.4 t0 -138.7 6.79 2.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.682 ' HB3' HD12 ' A' ' 3' ' ' LEU . 1.8 p-80 -172.35 151.45 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.609 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.935 ' CE2' HG21 ' A' ' 77' ' ' ILE . 17.9 p90 -101.26 65.64 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.514 ' CG ' HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -54.63 138.28 41.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.085 HD11 ' CD1' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -99.63 134.23 42.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.622 ' O ' HG23 ' A' ' 83' ' ' ILE . . . -115.75 98.22 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 66' ' ' ILE . 28.1 mm -77.22 115.22 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.877 ' CB ' HG23 ' A' ' 85' ' ' ILE . 5.2 m -126.77 164.34 21.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 48' ' ' SER . 8.8 t -161.81 147.81 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.53 ' H ' HD12 ' A' ' 53' ' ' LEU . 30.9 t -94.72 162.08 13.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.28 -0.58 56.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.39 -19.08 22.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 88' ' ' GLN . 2.1 mt -50.84 -77.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.535 ' HA3' ' CD1' ' A' ' 58' ' ' LEU . . . -176.93 -115.9 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -173.0 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.328 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.79 -23.1 42.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 p -62.09 -28.23 44.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.968 HD22 ' O ' ' A' ' 91' ' ' LYS . 12.9 mt -78.74 -39.97 34.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.709 ' HG2' HG21 ' A' ' 49' ' ' VAL . 5.1 tmm_? -72.0 -4.61 29.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 110.211 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -99.13 -22.89 15.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.487 ' HA ' ' CD ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -96.13 -27.78 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.974 HG21 ' HB2' ' A' ' 86' ' ' ALA . 78.0 mt -77.88 -29.46 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.511 ' CG ' ' N ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -84.8 -56.98 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.511 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 2.3 ptm85 -43.74 -44.98 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.604 ' CB ' HG21 ' A' ' 98' ' ' ILE . . . -50.31 -35.32 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.878 HD13 ' CG2' ' A' ' 84' ' ' VAL . 65.1 mt -75.94 -41.85 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -65.79 -11.17 43.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.463 ' OE2' ' CG2' ' A' ' 95' ' ' THR . 1.8 pt-20 -121.22 -3.41 9.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.8 ' OD1' HD13 ' A' ' 102' ' ' LEU . 15.9 t-20 -111.34 -42.0 4.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 1.085 ' CD1' HD11 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -86.7 3.99 42.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.34 2.61 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.637 ' CG1' ' O ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -104.06 -52.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.695 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 8.9 p80 -85.26 10.01 13.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.635 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 5.4 tttp -68.17 -7.44 30.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -86.48 -39.68 16.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.6 ' CE1' ' CB ' ' A' ' 73' ' ' HIS . 3.0 p-80 -99.65 14.17 31.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.613 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.935 HG21 ' CE2' ' A' ' 43' ' ' PHE . 1.3 tp -75.29 158.16 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.884 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.3 143.74 51.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -60.65 134.66 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.57 ' CA ' HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER 162.24 118.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.677 ' OD1' HD13 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -33.55 111.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.362 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.621 HG13 HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -127.04 151.13 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.63 HD13 ' CE1' ' A' ' 15' ' ' PHE . 29.8 mt -155.2 129.98 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.963 HG12 HG12 ' A' ' 32' ' ' VAL . 15.9 m -116.05 109.36 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.877 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -113.93 159.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.974 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -92.85 126.34 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.481 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 9.1 tpt180 -42.84 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.569 ' O ' HD23 ' A' ' 53' ' ' LEU . 2.5 mt-30 -172.76 -57.09 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.0 Cg_endo -75.12 5.63 3.92 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.554 1.818 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.936 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -90.03 22.18 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.968 ' O ' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -73.8 -37.77 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.244 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 5.8 m-20 -99.18 44.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.936 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -95.86 -162.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.522 ' O ' HD12 ' A' ' 98' ' ' ILE . 24.3 p -152.49 148.54 27.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.463 ' CG2' ' OE2' ' A' ' 68' ' ' GLU . 1.3 m -44.87 -23.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -77.58 -47.33 19.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 94' ' ' THR . 1.4 mm-40 -55.14 -50.99 67.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.757 ' CG2' HD12 ' A' ' 102' ' ' LEU . 3.5 mp -48.05 -37.69 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 95' ' ' THR . 0.2 OUTLIER -70.42 -36.93 74.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -72.45 -14.33 61.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -101.17 -49.56 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.8 HD13 ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -53.5 -27.92 28.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -0.23 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.921 ' NE2' HD11 ' A' ' 108' ' ' ILE . 1.1 t-160 -132.7 -71.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.613 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 32' ' ' VAL . 9.9 p -39.27 -52.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 1.069 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -64.57 -43.39 94.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.688 ' HA ' ' CZ ' ' A' ' 112' ' ' PHE . 9.0 tttt -48.57 -26.41 2.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.921 HD11 ' NE2' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -83.76 -34.44 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.807 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -64.45 -36.55 84.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 1.182 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.65 52.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.069 HG22 HD13 ' A' ' 106' ' ' LEU . 21.2 m -107.94 -8.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.915 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -112.27 106.17 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.71 ' CG ' HD12 ' A' ' 78' ' ' LEU . 42.5 m-20 -32.58 -41.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.579 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 49.2 mttt -147.03 -97.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.36 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.542 ' HD3' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 164.41 92.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.7 mt -46.1 154.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.529 0.204 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.505 HD23 ' H ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER 176.38 -151.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.144 HD22 ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 84.43 -161.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.51 ' H ' ' CD1' ' A' ' 3' ' ' LEU . 53.7 tt0 80.24 -116.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HA ' ' CD ' ' A' ' 8' ' ' ARG . 5.6 ptmm? -64.99 -6.34 8.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.71 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . -83.84 -5.68 59.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 1.144 ' CE1' HD22 ' A' ' 3' ' ' LEU . 4.2 m-85 -148.88 21.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 5' ' ' LYS . 7.0 ptm180 -94.33 165.19 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.329 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.689 HG21 ' CE1' ' A' ' 15' ' ' PHE . 14.0 mm -114.88 113.11 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -43.04 -26.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 88.89 -13.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.8 t30 -122.0 -90.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 12' ' ' ASN . . . -48.92 -52.03 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 3.8 m-20 -56.43 -20.21 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.689 ' CE1' HG21 ' A' ' 9' ' ' ILE . 1.5 m-85 -98.17 -30.69 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.4 pp0? -77.14 -37.01 54.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -65.52 -11.47 43.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 33' ' ' TYR . 2.8 mm -91.92 -55.41 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.782 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 7.2 m-85 -61.91 -16.01 47.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -131.34 14.81 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.379 1.05 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.15 169.92 42.34 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.522 1.138 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -119.89 105.42 11.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.727 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.673 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 79.1 p -86.08 156.59 20.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.587 ' CG2' HG23 ' A' ' 32' ' ' VAL . 34.7 m -142.18 125.03 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.67 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -120.72 137.87 54.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.595 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 1.2 p-10 -87.12 -88.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 3.1 mtt180 -122.55 -43.58 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.929 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 1.2 pp0? -144.75 36.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.679 ' HE2' HD11 ' A' ' 66' ' ' ILE . 15.6 t80 -161.64 139.11 8.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.771 HG23 HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -127.99 144.1 38.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.838 HG12 HG12 ' A' ' 84' ' ' VAL . 15.1 m -131.75 105.04 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.782 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 5.7 m-85 -80.79 124.35 28.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.91 HG21 ' HB1' ' A' ' 109' ' ' ALA . 40.3 p -141.97 150.05 40.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.463 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 34' ' ' THR . 0.5 OUTLIER 164.31 -178.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 108.273 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.98 -176.01 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -143.92 15.61 1.74 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 3.6 mtpt 167.5 -76.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -178.73 107.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.218 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.672 HG23 ' HB1' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -91.32 -161.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.533 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 8.7 t0 -168.02 26.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.556 ' N ' ' HB1' ' A' ' 79' ' ' ALA . 6.6 m-70 -160.78 158.49 28.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 49.7 p90 -109.13 118.02 35.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -110.55 78.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.91 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -83.38 119.85 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.536 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -102.55 -174.24 27.09 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 63' ' ' LYS . 15.7 mt -135.77 113.74 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.908 ' HB3' HG23 ' A' ' 85' ' ' ILE . 3.2 m -133.01 161.16 35.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.783 HG12 HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -123.08 -158.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.453 ' HB3' HD12 ' A' ' 53' ' ' LEU . 15.3 t -106.89 174.57 5.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.938 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -1.66 55.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -110.77 -20.49 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.783 HD13 HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -79.81 -104.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' N ' HD21 ' A' ' 58' ' ' LEU . . . 49.97 98.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.642 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 0.8 OUTLIER -171.0 -178.87 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.226 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' O ' ' ND2' ' A' ' 60' ' ' ASN . . . -101.69 -21.83 14.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.51 -32.94 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 59' ' ' ARG . 3.9 pp -83.85 -44.47 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.825 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.6 -3.5 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.6 m-20 -100.94 -14.9 17.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.97 -8.1 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.841 HD11 ' O ' ' A' ' 90' ' ' ALA . 58.0 mt -107.36 -25.66 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HE2' HG21 ' A' ' 47' ' ' ILE . 10.0 mtpt -102.19 -30.99 10.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 9.1 ttt180 -62.07 -70.47 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB3' HG12 ' A' ' 98' ' ' ILE . . . -54.73 -32.11 59.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.822 HD13 ' O ' ' A' ' 62' ' ' ILE . 1.6 mp -66.28 -41.05 88.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.19 1.76 34.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 10.1 tt0 -119.84 -0.86 10.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.563 ' O ' HG22 ' A' ' 72' ' ' VAL . 10.0 t-20 -98.16 -60.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.621 ' CE2' HG12 ' A' ' 77' ' ' ILE . 1.5 m-85 -68.47 -16.01 63.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -44.43 76.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 69' ' ' ASN . 3.7 m -77.9 -42.06 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.579 ' HA ' ' CG ' ' A' ' 76' ' ' HIS . 94.6 m-70 -80.01 6.52 11.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 43' ' ' PHE . 14.9 ttmt -50.48 -45.22 56.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.45 8.95 10.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.579 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -109.99 -36.54 5.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.666 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.628 ' C ' HD13 ' A' ' 78' ' ' LEU . 1.5 mp -72.28 143.92 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.968 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -108.54 171.26 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.672 ' HB1' HG23 ' A' ' 40' ' ' ILE . . . -59.29 115.09 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 1.1 tttp 177.2 113.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -47.22 103.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.883 HD13 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -110.76 159.36 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.357 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.883 ' N ' HD13 ' A' ' 82' ' ' ILE . 3.0 mt -160.74 112.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.838 HG12 HG12 ' A' ' 32' ' ' VAL . 10.8 m -94.17 118.61 40.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.908 HG23 ' HB3' ' A' ' 48' ' ' SER . 0.6 OUTLIER -119.32 150.68 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 49' ' ' VAL . . . -88.15 129.59 35.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.646 1.216 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.512 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -53.57 -69.13 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.215 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.521 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 170.29 -50.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.22 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.5 Cg_endo -74.94 2.07 7.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.929 ' HB2' ' HB2' ' A' ' 29' ' ' GLN . . . -89.63 43.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.531 ' HA ' HD21 ' A' ' 53' ' ' LEU . 60.2 tttt -90.72 -46.88 7.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -96.63 29.48 2.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.898 ' HE3' ' HB1' ' A' ' 90' ' ' ALA . 2.7 ptp -63.18 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.779 ' O ' HD12 ' A' ' 98' ' ' ILE . 27.9 p -156.8 147.19 21.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.747 ' HA ' HD13 ' A' ' 98' ' ' ILE . 1.4 m -45.53 -20.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.976 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -83.51 -48.68 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' CG ' ' OG1' ' A' ' 94' ' ' THR . 3.8 mm-40 -46.05 -37.26 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 94' ' ' THR . 4.7 mp -57.54 -69.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 96' ' ' LEU . 4.8 pt20 -59.02 -16.19 17.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.408 ' ND2' HD11 ' A' ' 96' ' ' LEU . 1.3 t-20 -80.41 -31.1 37.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 104' ' ' HIS . 11.9 p -91.18 -54.81 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.045 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.614 ' HB3' HD23 ' A' ' 106' ' ' LEU . 0.4 OUTLIER -47.11 -34.14 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -1.78 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.255 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.809 ' NE2' HD11 ' A' ' 108' ' ' ILE . 1.9 t-160 -136.91 -74.29 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.693 HG22 HG22 ' A' ' 32' ' ' VAL . 4.4 p -42.04 -41.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.775 HD21 ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -76.05 -41.08 51.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -52.35 -31.54 33.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.809 HD11 ' NE2' ' A' ' 104' ' ' HIS . 24.7 mt -82.15 -42.73 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.91 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -37.74 -31.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 32.2 tttt 86.79 15.23 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.22 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 7.2 m -91.72 29.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.775 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -136.88 123.05 20.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.981 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.673 HD22 HD12 ' A' ' 78' ' ' LEU . 10.9 p30 -80.38 -48.62 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.494 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -109.56 -4.54 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.592 ' HA ' ' CG ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 37.32 46.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -51.94 156.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.0 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.561 0.22 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 1.2 tt -148.08 -131.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.135 HD22 ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 81.59 -161.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.502 ' H ' ' CD1' ' A' ' 3' ' ' LEU . 29.3 tt0 80.36 -116.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -63.66 -6.67 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.676 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . -85.49 -7.6 58.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 1.135 ' CE1' HD22 ' A' ' 3' ' ' LEU . 4.1 m-85 -147.74 16.0 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -110.38 124.57 51.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 110.328 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.775 HG23 ' HB3' ' A' ' 14' ' ' ASP . 31.1 mt -81.6 98.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -112.81 5.89 17.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.26 149.6 23.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' GLN . 71.9 m-20 -69.65 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.33 -48.15 25.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.775 ' HB3' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -54.93 -32.19 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -85.97 -34.79 20.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.4 OUTLIER -72.33 -47.8 46.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.15 -25.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.531 HD11 ' OD2' ' A' ' 81' ' ' ASP . 4.8 mm -87.07 -49.29 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.752 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 5.2 m-85 -71.85 -2.33 17.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 111.056 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -103.91 -86.6 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -80.79 -25.22 38.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 18' ' ' ILE . . . -59.45 167.23 8.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.56 1.163 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -130.89 108.05 9.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.583 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.598 ' HB3' ' CD2' ' A' ' 33' ' ' TYR . 52.4 p -93.02 155.98 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.626 HG11 HG22 ' A' ' 108' ' ' ILE . 27.7 m -136.42 135.14 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HA ' HG23 ' A' ' 105' ' ' VAL . . . -121.95 138.3 54.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.646 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 4.6 p-10 -90.0 -82.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.646 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 5.9 mmt180 -123.1 -52.12 1.87 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -131.43 6.01 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.643 ' HB3' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -113.98 153.02 30.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.918 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -146.84 110.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.062 HG12 HG12 ' A' ' 84' ' ' VAL . 15.9 m -104.2 120.48 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.752 ' CD2' ' CD1' ' A' ' 19' ' ' TYR . 8.9 m-85 -98.5 110.55 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.629 HG22 ' HA ' ' A' ' 82' ' ' ILE . 73.1 p -129.67 170.82 13.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.79 90.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.339 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -172.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.43 80.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' HB3' HD11 ' A' ' 40' ' ' ILE . 0.8 OUTLIER 176.85 -48.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.599 ' C ' HD13 ' A' ' 40' ' ' ILE . 5.8 pt-20 40.17 95.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.862 HD13 ' N ' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -89.2 -150.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.72 7.08 6.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -162.15 119.83 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.591 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.607 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 54.8 p90 -64.99 113.69 4.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 80' ' ' LYS . 10.8 mtm180 -72.53 95.03 1.75 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.879 HD21 ' CD2' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -80.15 97.28 6.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.25 144.44 15.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.1 mt -132.0 133.53 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.759 . . . . 0.0 109.21 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.998 ' CB ' HG23 ' A' ' 85' ' ' ILE . 3.1 m -138.33 163.43 31.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' ' 59' ' ' ARG . 2.2 t -148.55 173.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.548 ' H ' HG12 ' A' ' 49' ' ' VAL . 29.8 t -114.37 161.77 17.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -96.29 1.43 52.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -98.66 -14.47 19.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.986 HD23 ' HB3' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -35.69 -68.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.65 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . 166.38 -37.95 0.25 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -172.36 170.65 4.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.32 71.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.218 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 p -67.06 -26.33 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.986 ' HB3' HD23 ' A' ' 53' ' ' LEU . 95.7 mt -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.604 ' HB3' HG11 ' A' ' 49' ' ' VAL . 14.3 mtm180 -71.14 -7.89 49.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -95.48 -33.51 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.244 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -69.25 -41.23 77.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 1.045 HG21 ' HB2' ' A' ' 86' ' ' ALA . 2.0 mt -69.12 -28.29 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.231 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 66' ' ' ILE . 20.0 tttt -86.05 -63.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 10.7 ptp180 -38.27 -44.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.627 ' CB ' HD13 ' A' ' 98' ' ' ILE . . . -69.41 -45.28 69.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.739 ' CD1' HG21 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -58.06 -27.01 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.58 -1.22 57.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.06 -35.83 8.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 71' ' ' LYS . 5.1 t-20 -75.27 -64.95 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.982 ' CZ ' HD11 ' A' ' 82' ' ' ILE . 1.8 m-85 -45.93 -21.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER -59.11 -49.17 78.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 69' ' ' ASN . 3.1 m -80.91 -40.79 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 76' ' ' HIS . 81.0 m80 -73.47 -2.54 22.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' PHE . 1.5 ttpm? -47.29 -25.45 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.52 -23.76 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.482 ' N ' ' O ' ' A' ' 73' ' ' HIS . 0.4 OUTLIER -72.41 -33.15 66.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.575 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.644 ' C ' HD13 ' A' ' 78' ' ' LEU . 1.5 mp -72.43 154.02 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.968 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -138.89 160.28 40.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -48.83 145.8 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.594 ' HD2' HD23 ' A' ' 78' ' ' LEU . 26.9 mttt 155.79 -107.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' OD2' HD11 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -170.66 95.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.982 HD11 ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -112.99 130.96 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' TYR . 4.1 mt -151.5 110.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.069 ' C ' HD13 ' A' ' 85' ' ' ILE . 10.1 m -100.14 124.27 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.069 HD13 ' C ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -114.03 153.85 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 1.045 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -89.75 96.89 10.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -32.3 -69.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.52 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.8 OUTLIER 168.02 -50.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -74.96 6.88 3.11 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.542 1.811 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.714 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -85.35 3.28 40.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.761 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.71 -31.3 64.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.45 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 3.4 m-20 -83.59 -16.06 46.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.714 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -58.31 177.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.784 ' O ' HD12 ' A' ' 98' ' ' ILE . 64.4 p -123.09 166.79 14.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.425 ' HA ' HD13 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -64.59 -8.35 13.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.49 -44.87 6.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.496 ' CB ' ' HG2' ' A' ' 93' ' ' MET . 1.5 mm-40 -49.05 -42.05 37.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.784 HD12 ' O ' ' A' ' 94' ' ' THR . 1.1 mp -39.97 -60.15 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -54.18 -36.56 63.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.347 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 97' ' ' GLN . 2.0 m-20 -68.58 -33.6 74.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 1.1 m -71.62 -53.05 14.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.6 OUTLIER -54.21 -20.22 6.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -2.68 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.593 ' CE1' HD11 ' A' ' 108' ' ' ILE . 1.2 t-80 -135.72 -74.98 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.532 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.742 HG22 HG22 ' A' ' 32' ' ' VAL . 4.1 p -37.95 -52.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.955 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -69.36 -44.33 71.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.674 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 1.8 tttt -51.17 -22.05 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.626 HG22 HG11 ' A' ' 25' ' ' VAL . 3.5 mt -90.91 -44.51 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.836 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -52.07 -41.23 62.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 29.7 tttt 81.07 32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.955 HG22 HD13 ' A' ' 106' ' ' LEU . 27.7 m -90.34 20.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.674 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 2.8 p90 -137.83 125.23 21.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.608 HD22 HD12 ' A' ' 78' ' ' LEU . 13.4 p30 -73.68 -48.07 35.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 1.9 tttt 163.61 -91.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.5 ' C ' ' O ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER 32.02 44.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -48.01 150.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.319 179.926 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' LEU . 16.4 mtp . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.472 0.177 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 60.2 mt -43.13 166.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.187 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.848 HD12 ' CB ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -47.39 170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.702 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 2.3 tt0 -121.88 -160.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.391 1.057 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 8' ' ' ARG . 8.6 ptmt -69.77 -0.59 7.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.936 ' HB3' ' HB2' ' A' ' 42' ' ' HIS . . . -40.79 -29.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.763 ' HD2' HD11 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -76.52 13.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.651 ' N ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -139.19 86.28 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.775 HG21 ' HD1' ' A' ' 15' ' ' PHE . 57.5 mt -70.06 105.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -103.77 5.04 35.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -168.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' PHE . 33.5 m-20 -111.47 -44.02 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . . . -48.07 -42.99 30.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HB2' HG23 ' A' ' 9' ' ' ILE . 20.5 m-20 -57.64 -30.7 65.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.775 ' HD1' HG21 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -86.55 -41.14 14.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 13' ' ' ALA . 4.4 pt20 -62.69 -39.47 94.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.97 -26.21 64.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 110.234 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.487 HD12 ' CD1' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -76.98 -59.25 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -59.87 -14.28 14.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.02 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -123.36 3.86 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.14 164.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' THR . 3.7 t-80 -117.27 99.55 7.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 0.763 . . . . 0.0 109.598 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.7 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 92.5 p -88.67 154.82 20.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.664 HG22 HG23 ' A' ' 32' ' ' VAL . 17.9 m -131.73 -155.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 167.81 131.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.734 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 1.1 p-10 -100.05 -59.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.077 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.734 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 32.9 mtm-85 -130.03 -74.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.552 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -122.38 -4.52 8.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.764 ' CZ ' HG23 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -105.18 134.62 47.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG22 HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -125.6 117.85 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.076 ' CG1' HG12 ' A' ' 84' ' ' VAL . 19.0 m -99.24 119.08 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.743 ' CD1' ' CD1' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -95.87 117.69 31.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.497 HG21 ' HB1' ' A' ' 109' ' ' ALA . 33.9 p -123.12 167.7 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -116.28 168.74 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 108.28 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -74.75 -64.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 72.96 -170.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 -52.97 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.65 72.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.746 ' CG2' ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -80.39 -171.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.627 1.204 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -136.74 7.97 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.936 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . 1.6 p80 -161.39 159.95 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.589 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CE2' ' CB ' ' A' ' 7' ' ' TYR . 37.0 p90 -109.17 -175.06 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 2.0 mtt-85 -135.09 104.36 5.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.706 ' CD2' ' CE1' ' A' ' 70' ' ' PHE . 12.0 mt -91.31 101.29 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 83' ' ' ILE . . . -124.38 148.04 16.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.567 HG13 HG21 ' A' ' 66' ' ' ILE . 4.5 mp -112.84 136.09 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.792 ' HB3' HG23 ' A' ' 85' ' ' ILE . 1.2 m -135.79 147.39 48.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.823 HG21 ' HG3' ' A' ' 59' ' ' ARG . 87.6 t -134.91 167.89 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 49' ' ' VAL . 29.3 t -95.72 163.13 13.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.939 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -101.19 1.27 38.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -104.53 -19.62 13.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.787 HD22 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -37.57 -66.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.703 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 164.15 -109.32 0.37 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.698 ' O ' HD11 ' A' ' 58' ' ' LEU . 9.0 t30 -88.03 -158.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.72 -21.67 14.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.36 -36.38 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.838 HD12 ' N ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -76.71 -21.51 55.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.838 ' N ' HD12 ' A' ' 58' ' ' LEU . 31.2 ttt180 -90.6 -8.98 48.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.265 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -92.23 -30.73 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.545 ' O ' HD13 ' A' ' 98' ' ' ILE . 2.2 ttpt -76.21 -35.96 58.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.918 HG21 ' HB2' ' A' ' 86' ' ' ALA . 13.8 mt -68.48 -34.63 66.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.547 ' HG3' HG21 ' A' ' 47' ' ' ILE . 11.3 tttt -87.99 -43.06 12.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 6.3 ttt85 -46.84 -61.85 1.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.854 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -51.18 -50.29 59.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.747 HD13 HG23 ' A' ' 84' ' ' VAL . 95.2 mt -51.55 -52.68 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -8.24 31.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 15.4 tt0 -109.8 -3.68 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.525 ' O ' ' CE1' ' A' ' 73' ' ' HIS . 20.7 t-20 -118.43 -9.48 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.706 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -97.52 -10.72 24.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.74 2.73 30.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.58 HG23 ' N ' ' A' ' 73' ' ' HIS . 8.5 m -97.08 -55.49 6.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.768 ' CD2' HD11 ' A' ' 77' ' ' ILE . 0.0 OUTLIER -101.49 18.38 20.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.582 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 1.9 tttt -49.92 -22.36 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.6 m -89.12 -28.4 20.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.652 ' CD2' ' HB2' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -77.23 -19.52 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.768 HD11 ' CD2' ' A' ' 73' ' ' HIS . 1.2 mp -81.07 133.59 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -104.2 -179.44 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.746 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -52.13 -176.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 6.4 mttm 91.64 119.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.416 ' HA ' ' HB2' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -49.71 154.84 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.714 ' HB ' HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -159.06 143.2 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.728 HG22 HG13 ' A' ' 85' ' ' ILE . 20.7 mt -157.38 104.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 1.076 HG12 ' CG1' ' A' ' 32' ' ' VAL . 27.6 m -85.43 89.5 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.792 HG23 ' HB3' ' A' ' 48' ' ' SER . 0.9 OUTLIER -82.66 158.35 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.918 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -96.05 104.34 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.519 ' C ' ' CG ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -35.16 -84.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.519 ' CG ' ' C ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -164.41 -56.77 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.519 ' HD2' ' H ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.0 9.52 2.0 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.632 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -79.5 12.73 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 2.9 pttp -84.42 -37.94 20.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.447 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.4 m-20 -76.07 -2.33 30.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.596 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -68.39 -170.04 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 93' ' ' MET . 6.7 p -154.84 156.69 36.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.583 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.4 m -47.71 -20.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.562 ' C ' HD13 ' A' ' 96' ' ' LEU . 2.6 tm? -78.95 -48.89 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.455 ' HG3' ' OG1' ' A' ' 94' ' ' THR . 39.0 mt-30 -64.73 -50.43 66.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.854 HG21 ' HB3' ' A' ' 65' ' ' ALA . 10.6 mt -43.77 -28.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.443 ' HG2' HD21 ' A' ' 69' ' ' ASN . 70.6 mt-30 -86.73 -40.36 15.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLN . 29.9 m-20 -68.86 -19.13 64.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.41 ' O ' HG12 ' A' ' 105' ' ' VAL . 55.2 m -71.46 -56.33 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.46 HD12 ' O ' ' A' ' 98' ' ' ILE . 0.7 OUTLIER -49.8 -22.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -5.37 24.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 1.073 ' CE1' HD11 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -140.04 -71.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.672 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 30' ' ' PHE . 9.9 p -36.15 -52.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.996 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -65.39 -43.87 89.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.804 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 24.4 mttt -49.27 -21.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.073 HD11 ' CE1' ' A' ' 104' ' ' HIS . 6.7 mt -90.46 -38.81 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.875 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -58.98 -40.63 85.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.446 ' CG ' ' C ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 81.2 38.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.996 HG22 HD13 ' A' ' 106' ' ' LEU . 18.1 m -104.39 23.5 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.804 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 0.5 OUTLIER -145.31 121.15 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.743 ' N ' HD11 ' A' ' 78' ' ' LEU . 73.2 m-80 -39.54 -42.79 1.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.594 1.184 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.519 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 1.3 tttp 177.87 -61.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER 162.59 97.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.61 ' HB ' ' CD2' ' A' ' 76' ' ' HIS . 0.8 OUTLIER -51.08 141.52 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.2 mtp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.5 0.191 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.55 -173.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.803 HD11 ' HE2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -67.1 -164.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -124.61 -117.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.35 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 4.1 ptmt -69.67 -4.93 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.717 ' HA ' HD13 ' A' ' 3' ' ' LEU . . . 71.68 19.59 4.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.841 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 41.0 m-85 59.59 19.3 7.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -78.5 111.74 14.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.6 HD11 ' HB2' ' A' ' 44' ' ' ARG . 15.6 mt -89.46 101.81 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.6 4.57 35.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -113.96 156.54 23.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' PHE . 1.8 t-20 -83.58 -47.47 11.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.51 -45.41 26.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.587 ' CB ' HG23 ' A' ' 9' ' ' ILE . 21.9 m-20 -54.49 -32.47 57.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -87.06 -39.32 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -39.1 81.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -26.46 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.667 ' N ' HD13 ' A' ' 18' ' ' ILE . 1.3 mm -79.58 -58.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.733 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 5.7 m-85 -58.4 -14.82 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.38 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 14.71 5.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.31 176.01 5.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -129.79 103.73 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.489 0.758 . . . . 0.0 109.648 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.506 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 70.9 p -95.13 137.49 34.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.656 HG11 HG22 ' A' ' 108' ' ' ILE . 27.1 m -114.81 128.7 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -116.19 138.7 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.563 ' ND2' ' CD2' ' A' ' 104' ' ' HIS . 41.2 t30 -119.15 -142.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 27' ' ' ASN . 40.2 mmt180 -33.54 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.963 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -139.55 30.09 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.546 ' CE2' ' HB ' ' A' ' 84' ' ' VAL . 3.5 t80 -127.42 147.94 50.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.684 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -136.99 109.24 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.553 HG21 ' O ' ' A' ' 105' ' ' VAL . 26.9 m -106.54 126.7 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.733 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 3.8 m-85 -93.57 134.5 35.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 1.082 HG21 ' HB1' ' A' ' 109' ' ' ALA . 29.9 p -157.0 147.4 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 1.9 p -107.41 155.61 19.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.56 91.17 3.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 165.72 171.52 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.569 1.168 . . . . 0.0 109.372 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.88 101.21 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.339 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -115.87 -53.48 2.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.251 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 tt -139.47 175.25 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.518 ' C ' ' HB2' ' A' ' 79' ' ' ALA . 43.3 m-20 -119.27 15.07 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -138.98 117.52 12.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 109.624 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.841 ' CZ ' ' CZ ' ' A' ' 7' ' ' TYR . 39.7 p90 -64.08 96.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.6 ' HB2' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -71.37 128.21 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.95 ' CD2' HD12 ' A' ' 82' ' ' ILE . 13.9 mt -102.08 128.82 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.544 ' HA3' ' CE1' ' A' ' 15' ' ' PHE . . . -112.41 -54.47 0.48 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.45 HG23 HD13 ' A' ' 66' ' ' ILE . 45.1 mt 66.78 129.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 0.787 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.904 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.6 m -148.74 160.89 42.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 48' ' ' SER . 3.0 t -167.08 165.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.551 ' H ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -92.19 166.35 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -92.76 -13.36 29.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.92 -14.47 14.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.986 ' C ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -114.49 -12.44 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.541 ' HA3' ' CG1' ' A' ' 49' ' ' VAL . . . -109.56 36.46 4.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.045 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.565 ' N ' ' HB2' ' A' ' 58' ' ' LEU . 41.0 t30 -41.86 167.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.99 -32.65 54.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -33.3 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.565 ' HB2' ' N ' ' A' ' 55' ' ' ASN . 17.5 mt -75.39 -45.34 39.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -67.44 -3.1 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 2.0 m-20 -103.67 -17.82 14.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -106.63 -18.87 13.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.41 HG21 ' HB2' ' A' ' 86' ' ' ALA . 30.3 mt -94.12 -37.34 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -76.2 -41.78 48.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.524 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 9.1 ptm180 -64.05 -44.36 92.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.524 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -68.85 -9.52 51.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.624 HG12 HG21 ' A' ' 84' ' ' VAL . 15.0 mt -99.95 -29.85 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.209 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.3 -0.97 56.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -117.81 -0.85 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.616 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 2.2 t-20 -116.47 1.58 12.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.615 ' HZ ' HD11 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -110.07 -39.49 5.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.919 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -74.14 -4.73 37.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.476 HG23 ' CD2' ' A' ' 73' ' ' HIS . 11.7 m -113.23 -43.66 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 43.5 m-70 -71.32 -17.56 62.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -58.87 -20.15 48.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 0.4 OUTLIER -85.43 33.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.023 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.616 ' NE2' ' CE1' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -178.88 -28.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.621 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.565 HD13 ' HB3' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -60.18 137.89 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.846 HD23 ' HD2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -115.34 174.49 5.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.614 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -53.14 -167.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.846 ' HD2' HD23 ' A' ' 78' ' ' LEU . 37.3 mttt 96.28 118.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 1.4 p30 -39.66 126.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.95 HD12 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -137.71 139.04 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.585 HG21 ' CE2' ' A' ' 15' ' ' PHE . 1.1 mt -153.53 119.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.624 HG21 HG12 ' A' ' 66' ' ' ILE . 11.4 m -99.34 115.07 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.901 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -120.31 150.85 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.505 ' CB ' HD11 ' A' ' 53' ' ' LEU . . . -82.07 109.2 16.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.508 ' N ' HG12 ' A' ' 31' ' ' VAL . 16.2 tpt85 -31.81 -70.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.567 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 164.31 -47.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.02 7.26 2.95 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.963 ' HB2' ' HB2' ' A' ' 29' ' ' GLN . . . -87.42 19.8 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.656 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -88.34 3.85 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -147.78 46.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.798 ' HE1' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -127.37 -172.62 2.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 97' ' ' GLN . 8.6 p -134.07 150.51 51.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.823 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.5 m -43.74 -24.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.8 tm? -65.9 -43.22 88.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.217 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' THR . 34.2 mt-30 -69.84 -24.75 63.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 95' ' ' THR . 61.9 mt -72.65 -53.83 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.87 -35.28 72.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -68.51 -22.77 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 105' ' ' VAL . 21.6 p -90.72 -55.64 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.831 ' O ' HD23 ' A' ' 106' ' ' LEU . 2.0 mt -48.58 -34.32 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -6.6 22.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.35 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.725 ' CE1' ' CD1' ' A' ' 108' ' ' ILE . 0.0 OUTLIER -134.7 -68.7 0.53 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.553 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -42.07 -39.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.831 HD23 ' O ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -81.54 -37.44 27.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' HIS . 6.3 tmtt? -55.32 -34.99 64.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.725 ' CD1' ' CE1' ' A' ' 104' ' ' HIS . 37.4 mt -79.91 -34.18 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 1.082 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -39.8 -29.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 4.1 tptt 90.37 11.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.782 ' CG2' HD12 ' A' ' 106' ' ' LEU . 15.1 m -91.19 30.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.595 1.184 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.705 ' CE1' HD11 ' A' ' 106' ' ' LEU . 1.8 m-85 -130.34 122.87 28.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.834 ' N ' HD11 ' A' ' 78' ' ' LEU . 4.1 p30 -34.13 -46.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.229 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.487 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 2.4 mtmt -166.46 -67.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.385 1.053 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -168.84 85.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.57 HD13 ' CD2' ' A' ' 112' ' ' PHE . 1.8 mp -40.97 160.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 116' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.539 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.459 0.171 . . . . 0.0 110.986 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.24 170.44 13.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.52 ' CD1' HD11 ' A' ' 83' ' ' ILE . 37.4 mt -135.62 114.08 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -131.13 6.3 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -174.83 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.3 p30 -95.95 -48.18 5.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.13 -38.51 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.441 ' CB ' HG23 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -68.54 -25.41 64.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.41 -28.14 17.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -80.34 -33.78 37.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.25 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -42.55 -73.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -47.24 -55.24 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 3.2 m-85 -57.53 -13.53 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.19 -79.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 -3.38 10.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -48.73 158.39 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' THR . 14.1 t60 -104.55 100.93 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.55 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.561 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . 35.1 p -93.15 154.1 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.73 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 13.3 m -128.89 -142.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 160.38 128.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.69 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 9.6 p30 -87.78 -87.87 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.69 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 10.5 ptp180 -122.65 -46.11 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.39 13.15 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.702 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -135.61 137.39 41.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -126.75 146.17 33.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.1 HG12 HG12 ' A' ' 84' ' ' VAL . 15.3 m -127.77 128.19 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 24' ' ' SER . 6.3 m-85 -106.89 130.12 54.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 29.7 p -140.84 165.2 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.406 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.404 ' HB3' ' CG ' ' A' ' 81' ' ' ASP . 12.9 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.456 ' HB2' ' CA ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CG ' HG22 ' A' ' 77' ' ' ILE . 4.4 p90 -67.54 88.82 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' HB3' ' CG1' ' A' ' 9' ' ' ILE . 2.6 mtm180 -51.7 93.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.726 HD21 ' CD2' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -77.4 137.06 38.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.433 ' H ' HD23 ' A' ' 45' ' ' LEU . . . -143.85 161.61 27.79 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.455 ' CG2' ' HG2' ' A' ' 63' ' ' LYS . 5.3 mt -136.6 127.57 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 1.013 ' CB ' HG23 ' A' ' 85' ' ' ILE . 9.3 m -143.16 148.02 35.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.852 HG22 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -137.22 179.15 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 49' ' ' VAL . 4.8 t -100.26 170.53 8.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -104.05 1.97 31.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 53' ' ' LEU . 13.5 mttt -110.57 -15.21 13.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.008 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -35.95 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.922 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . 172.86 -110.93 0.36 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -100.89 179.16 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . -67.53 -24.31 65.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.71 -26.29 30.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.008 HD13 ' HB2' ' A' ' 91' ' ' LYS . 97.8 mt -81.94 -44.27 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.773 ' HB2' HG11 ' A' ' 49' ' ' VAL . 2.7 ptm180 -71.98 -5.03 32.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -95.25 -56.67 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.484 ' C ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -47.71 -46.16 29.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.008 ' CD1' HD21 ' A' ' 53' ' ' LEU . 4.9 mt -62.01 -24.27 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' ASN . 64.1 mttt -89.76 -58.04 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 67' ' ' ARG . 2.5 mtp180 -49.71 -67.87 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 95' ' ' THR . . . -42.95 -28.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.871 HD13 ' O ' ' A' ' 62' ' ' ILE . 1.0 OUTLIER -83.45 -41.09 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -70.42 -9.8 57.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.66 -26.95 14.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.505 ' O ' HG22 ' A' ' 72' ' ' VAL . 1.7 t-20 -82.61 -68.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 1.06 ' CZ ' HD11 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -40.53 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -60.77 -47.9 84.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.596 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 3.1 m -77.75 -41.99 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.567 ' HA ' ' CG ' ' A' ' 76' ' ' HIS . 59.2 m-70 -76.94 2.02 15.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -53.87 -41.08 67.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.386 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.18 12.23 27.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 72' ' ' VAL . 1.3 m170 -113.43 -19.01 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.647 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.632 HG22 ' CG ' ' A' ' 43' ' ' PHE . 1.7 mp -89.62 142.87 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.915 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -113.47 161.39 17.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.558 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -60.98 129.65 42.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.778 ' O ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER 159.64 49.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.263 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.778 ' O ' ' O ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER 34.8 111.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.06 HD11 ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -131.47 131.5 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.548 HG22 ' CD1' ' A' ' 85' ' ' ILE . 12.6 mt -150.3 158.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.1 HG12 HG12 ' A' ' 32' ' ' VAL . 14.9 m -136.52 115.03 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.013 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -107.62 146.53 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.918 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -91.6 117.42 29.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.502 ' HG2' HG13 ' A' ' 31' ' ' VAL . 21.3 mmm-85 -49.58 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.4 OUTLIER 171.47 -52.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.6 Cg_endo -74.93 2.39 6.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.648 ' HB1' ' CE ' ' A' ' 93' ' ' MET . . . -75.69 -2.07 27.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 1.008 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -66.56 -36.65 83.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.94 -23.71 66.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.648 ' CE ' ' HB1' ' A' ' 90' ' ' ALA . 5.6 mtm -66.64 166.99 11.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.903 ' C ' HD12 ' A' ' 98' ' ' ILE . 18.1 p -133.99 -178.58 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.697 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 1.0 OUTLIER -60.94 -8.25 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.34 -43.38 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 100' ' ' ASN . 30.9 mt-30 -79.58 -48.21 14.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.903 HD12 ' C ' ' A' ' 94' ' ' THR . 9.7 mt -45.12 -40.19 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.478 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 74.6 mt-30 -72.29 -35.74 68.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' GLN . 8.1 m-20 -72.39 -6.12 41.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.7 m -78.08 -47.88 17.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.778 HD21 HG13 ' A' ' 66' ' ' ILE . 1.5 mp -62.41 -17.1 58.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -2.55 14.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.492 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.2 t-160 -134.99 -77.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.697 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.709 HG22 HG22 ' A' ' 32' ' ' VAL . 4.2 p -39.96 -53.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.904 HD13 ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -64.07 -43.07 96.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.1 OUTLIER -58.86 -16.7 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.476 HG22 HG11 ' A' ' 25' ' ' VAL . 2.0 mt -96.31 -33.29 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.893 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -51.5 -36.92 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 87.8 23.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.904 ' CG2' HD13 ' A' ' 106' ' ' LEU . 21.9 m -90.3 23.18 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.726 ' CE2' HD11 ' A' ' 106' ' ' LEU . 1.4 m-85 -126.72 124.41 39.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.53 ' CG ' HD12 ' A' ' 78' ' ' LEU . 68.2 m-80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HD1' ' CZ ' ' A' ' 43' ' ' PHE . 46.7 m-85 . . . . . 0 N--CA 1.454 -0.27 0 CA-C-O 120.467 0.175 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.35 -169.01 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.233 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.696 HG21 ' CD1' ' A' ' 15' ' ' PHE . 1.3 mm -100.25 127.06 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.54 6.34 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.469 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 6.1 mttm -148.89 116.64 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' PHE . 8.8 p30 -50.92 -45.55 60.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.36 -56.12 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.555 ' OD2' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -49.77 -37.19 28.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.696 ' CD1' HG21 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -75.23 -42.94 54.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.92 -40.17 96.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -50.3 -42.93 53.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 81' ' ' ASP . 1.7 mt -60.11 -65.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -53.69 -16.43 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -73.74 -87.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -98.86 -20.75 16.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 18' ' ' ILE . . . -36.54 157.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.548 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 1.3 p-80 -121.24 118.51 29.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.549 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.628 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 62.2 p -97.8 155.92 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.71 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 16.7 m -123.41 -144.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 160.81 131.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.586 ' CG ' ' HB ' ' A' ' 105' ' ' VAL . 3.8 p30 -89.06 -95.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.557 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -121.38 -40.39 2.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.753 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.77 23.99 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.631 ' CE2' HD11 ' A' ' 66' ' ' ILE . 2.5 t80 -147.41 156.97 43.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.538 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -146.7 133.83 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 105' ' ' VAL . 16.6 m -120.73 125.06 73.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.628 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 3.3 m-85 -95.35 122.34 37.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.789 HG21 ' HB1' ' A' ' 109' ' ' ALA . 43.0 p -140.05 154.94 47.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.407 ' HB3' ' OD2' ' A' ' 81' ' ' ASP . 8.3 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.675 ' CG ' ' CG2' ' A' ' 77' ' ' ILE . 1.6 p90 -112.62 84.81 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -34.85 125.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.819 HD22 ' CE1' ' A' ' 70' ' ' PHE . 8.1 mt -123.27 89.24 3.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.67 ' C ' HD12 ' A' ' 47' ' ' ILE . . . -109.77 169.55 13.75 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.499 1.124 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.67 HD12 ' C ' ' A' ' 46' ' ' GLY . 1.8 mp -119.23 119.85 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 109.212 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.909 ' CB ' HG23 ' A' ' 85' ' ' ILE . 59.7 m -122.79 129.71 52.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 53' ' ' LEU . 87.7 t -132.03 158.1 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.3 t -94.32 165.35 12.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -100.78 1.6 40.41 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HB3' ' NE2' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -107.09 -15.3 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.366 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.686 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -40.25 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.728 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . 172.05 -109.95 0.33 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.505 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -101.99 -179.36 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 109.247 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -72.66 -23.46 60.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.454 HG12 HD22 ' A' ' 55' ' ' ASN . 2.5 p -65.99 -21.98 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.893 HD13 ' HB2' ' A' ' 91' ' ' LYS . 44.7 mt -84.45 -39.7 18.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -75.23 -8.98 58.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.1 m-20 -92.66 -41.51 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.838 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -72.13 -32.8 67.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.883 HD11 ' O ' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -74.12 -41.39 51.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -16.12 45.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 11.3 ttt180 -68.68 -48.33 64.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.836 ' HB3' ' CG2' ' A' ' 98' ' ' ILE . . . -79.62 -9.74 59.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.683 HG13 HD21 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -93.7 -26.1 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -9.81 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -109.1 -9.76 15.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.55 ' CG ' HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -89.75 -36.46 15.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.249 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.819 ' CE1' HD22 ' A' ' 45' ' ' LEU . 10.5 m-85 -66.8 -46.74 74.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -62.71 -52.6 62.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.629 HG13 ' CD2' ' A' ' 73' ' ' HIS . 8.6 p -60.22 -52.32 62.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.408 1.067 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.63 ' O ' HD13 ' A' ' 77' ' ' ILE . 94.0 m-70 -84.44 17.22 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.581 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' PHE . 5.2 ttpt -60.31 -47.23 86.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.4 m -83.09 -9.82 59.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 2.3 m-70 -90.72 -26.82 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.585 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.675 ' CG2' ' CG ' ' A' ' 43' ' ' PHE . 1.6 mp -83.07 145.56 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.823 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -120.82 154.44 35.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -39.16 126.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.774 ' O ' HG22 ' A' ' 82' ' ' ILE . 2.0 mttp 162.26 110.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.492 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -45.84 124.44 5.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.856 HD13 ' C ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -141.51 159.41 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.684 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 18.6 mt -157.0 115.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.632 HG13 HD11 ' A' ' 82' ' ' ILE . 6.3 m -90.38 114.34 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.605 1.191 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.909 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -114.59 143.51 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.697 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -94.98 119.66 33.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.494 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -52.87 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.355 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 1.3 mt-30 -85.27 -58.2 0.35 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.0 7.78 2.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.883 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -82.99 7.71 14.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.893 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -83.57 -13.47 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -90.82 -6.01 54.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.45 ' HE3' ' CG1' ' A' ' 98' ' ' ILE . 6.8 mtm -72.09 -176.2 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.787 ' C ' HD12 ' A' ' 98' ' ' ILE . 14.4 p -154.38 160.05 41.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.68 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.3 m -44.63 -22.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.451 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.1 tm? -76.87 -45.42 28.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 94' ' ' THR . 26.1 mt-30 -82.27 -43.35 17.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.838 HD13 ' O ' ' A' ' 61' ' ' LYS . 10.1 mt -49.04 -37.16 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.485 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 31.6 mt-30 -74.89 -38.63 61.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.597 1.186 . . . . 0.0 110.328 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -75.61 -13.84 60.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 97' ' ' GLN . 30.7 m -73.17 -49.48 27.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.683 HD21 HG13 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -62.81 -16.35 57.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.04 -3.14 21.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.514 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.9 OUTLIER -133.9 -75.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.575 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 32' ' ' VAL . 4.2 p -41.13 -51.04 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.732 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -68.18 -40.72 82.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -58.42 -21.34 50.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 104' ' ' HIS . 2.9 mt -90.8 -38.51 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.789 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -42.18 -33.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 7.8 tptm 88.56 17.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.732 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 31.1 m -92.4 27.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.678 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -133.91 122.88 23.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.601 ' N ' HD11 ' A' ' 78' ' ' LEU . 17.2 m-80 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 2.1 m-85 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.435 0.16 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.53 168.68 19.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.731 HG22 ' H ' ' A' ' 10' ' ' LYS . 1.2 mm -99.73 -167.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.731 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 174.52 -34.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.51 166.93 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.385 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' PHE . 5.2 m-80 -78.89 -50.1 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.62 -58.54 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB2' ' CG2' ' A' ' 9' ' ' ILE . 51.5 m-20 -45.88 -39.92 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.615 1.197 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CE1' HD13 ' A' ' 83' ' ' ILE . 1.2 m-85 -77.28 -40.96 42.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 20' ' ' LYS . 1.1 mt-30 -65.6 -35.53 81.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 20' ' ' LYS . 10.9 tpp180 -41.68 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -46.14 -56.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 5.0 m-85 -55.37 -15.86 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.58 1.175 . . . . 0.0 111.009 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -72.96 -80.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 2.56 10.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -51.61 170.62 0.36 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.143 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 25' ' ' VAL . 10.9 t60 -108.49 100.8 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 109.554 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 5.1 p -89.61 144.47 25.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.564 HG13 ' CD2' ' A' ' 23' ' ' HIS . 30.8 m -138.18 139.26 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -131.48 123.54 28.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.704 HD21 ' N ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -74.2 -96.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.56 ' N ' HD22 ' A' ' 27' ' ' ASN . 0.5 OUTLIER -123.25 -37.31 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.649 ' HB3' ' HB2' ' A' ' 90' ' ' ALA . 2.9 mt-30 -144.11 50.13 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.704 ' N ' HD21 ' A' ' 27' ' ' ASN . 1.4 t80 177.89 143.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.685 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -133.85 130.87 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.424 1.077 . . . . 0.0 109.339 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.646 HG22 HG22 ' A' ' 105' ' ' VAL . 34.0 m -120.26 138.41 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CD2' ' CD1' ' A' ' 19' ' ' TYR . 5.8 m-85 -109.28 133.13 53.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.684 HG21 ' HB1' ' A' ' 109' ' ' ALA . 70.5 p -144.86 156.77 44.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 108.363 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 1.7 m-70 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.728 ' CD2' ' CG2' ' A' ' 77' ' ' ILE . 45.8 p90 -78.32 108.7 11.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 4.4 mtm180 -79.8 114.18 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.913 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -89.17 121.47 31.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.497 ' C ' HD13 ' A' ' 47' ' ' ILE . . . -129.67 132.84 7.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.829 ' N ' HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -104.76 134.02 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.929 ' CB ' HG23 ' A' ' 85' ' ' ILE . 66.1 m -144.37 134.72 24.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.573 HG11 ' CD ' ' A' ' 59' ' ' ARG . 42.3 t -139.95 161.9 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.501 ' HB3' HD12 ' A' ' 53' ' ' LEU . 26.9 t -94.07 163.33 13.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.79 0.83 33.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.597 1.186 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -103.88 -17.68 14.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.693 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.36 -68.74 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.919 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 168.16 -113.92 0.55 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.563 ' O ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -95.27 -158.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . . . -95.95 -19.68 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 p -63.81 -37.19 79.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.953 HD22 ' HB2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -82.7 -22.28 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.619 ' N ' HD12 ' A' ' 58' ' ' LEU . 30.3 mtm180 -88.8 -12.63 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.9 -38.62 15.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -71.29 -37.74 71.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.866 HG21 ' HB2' ' A' ' 86' ' ' ALA . 71.7 mt -69.61 -26.6 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' ILE . 0.3 OUTLIER -90.21 -63.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.535 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 6.4 ptm180 -38.26 -44.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -63.45 -47.76 80.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.563 HD13 ' CG2' ' A' ' 84' ' ' VAL . 47.2 mt -50.07 -47.19 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -85.55 13.0 7.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.1 -28.64 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.621 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -99.44 -55.15 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.913 ' CE2' HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -31.27 -39.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ASN . 4.8 tptt -57.52 -66.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 69' ' ' ASN . 16.2 m -54.92 -37.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.958 ' CE1' HD21 ' A' ' 106' ' ' LEU . 46.9 m-70 -71.05 -19.89 62.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 109.54 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -66.33 -18.05 65.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.4 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.31 36.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 77' ' ' ILE . 0.6 OUTLIER -175.35 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.728 ' CG2' ' CD2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -44.9 141.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.722 ' H ' HD22 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.19 178.4 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.547 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -66.92 130.35 42.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 159.76 112.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 34' ' ' THR . 47.0 t0 -47.78 121.07 3.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.514 HD13 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -127.9 156.35 39.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.528 HD13 ' CE1' ' A' ' 15' ' ' PHE . 30.7 mt -155.47 126.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 m -106.99 125.13 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.929 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -123.0 146.59 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.866 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -81.74 113.11 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.482 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 6.5 mmt180 -34.61 -91.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -174.78 -57.7 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.369 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.3 Cg_endo -74.98 4.68 4.51 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.007 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -87.49 21.34 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.953 ' HB2' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -77.62 -18.71 56.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.79 23.24 14.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 1.007 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.36 -165.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 93' ' ' MET . 1.6 p -154.88 145.31 22.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.71 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.3 m -43.63 -24.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.75 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -73.72 -49.17 26.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 94' ' ' THR . 2.7 mm-40 -66.35 -37.94 86.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 95' ' ' THR . 12.7 mt -55.88 -42.26 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 95' ' ' THR . 2.4 mm-40 -65.76 -31.87 73.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.43 -34.14 60.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.52 ' CB ' ' OD1' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -75.18 -51.71 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.949 HD23 HD22 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -54.0 -34.16 59.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.81 -1.48 9.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.555 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -122.95 -73.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.646 HG22 HG22 ' A' ' 32' ' ' VAL . 2.7 p -46.92 -52.02 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.958 HD21 ' CE1' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -68.9 -40.93 78.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 tmtt? -54.81 -43.59 73.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.1 mt -68.67 -36.34 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.684 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -41.81 -37.29 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 84.11 30.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.9 ' CG2' HD12 ' A' ' 106' ' ' LEU . 4.6 m -84.26 6.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 15.2 m-85 -106.51 124.87 50.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.695 ' N ' HD11 ' A' ' 78' ' ' LEU . 19.4 m-80 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.519 0.2 . . . . 0.0 111.035 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.94 121.48 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.977 HD12 HD11 ' A' ' 83' ' ' ILE . 5.4 mm -70.98 76.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 -28.94 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.12 153.77 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.1 t-20 -75.67 -28.09 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.371 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.67 -41.94 67.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.84 -26.0 67.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 13.2 m-85 -88.77 -33.17 17.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ASN . 2.3 tt0 -76.78 -48.05 19.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -38.98 -46.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.423 HG21 ' O ' ' A' ' 33' ' ' TYR . 1.1 mt -69.95 -56.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 15' ' ' PHE . 10.1 m-85 -48.78 -22.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.65 13.97 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.03 176.83 2.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.548 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 7.3 p-80 -122.44 111.26 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.618 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.511 ' HB3' ' CD1' ' A' ' 33' ' ' TYR . 52.9 p -95.98 158.31 15.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 105' ' ' VAL . 13.9 m -143.0 125.07 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -108.81 104.62 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.674 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 8.6 p30 -54.13 -88.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.243 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.674 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 18.5 mmt85 -124.32 -43.12 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.71 9.98 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.586 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -133.31 138.11 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.564 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -112.43 134.51 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.068 HG11 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -115.99 99.56 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 24' ' ' SER . 6.0 m-85 -80.8 93.02 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.603 HG21 ' HB1' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -114.55 159.01 20.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' ' SG ' ' A' ' 35' ' ' CYS . 16.3 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.237 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.501 ' C ' ' HA ' ' A' ' 79' ' ' ALA . 4.3 m-70 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' PHE . 1.8 p90 -116.93 128.62 55.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.656 ' CG ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -126.33 102.76 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.193 HD13 ' CD2' ' A' ' 70' ' ' PHE . 52.4 mt -80.59 138.2 36.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.731 ' C ' HD12 ' A' ' 47' ' ' ILE . . . -126.24 167.8 18.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.731 HD12 ' C ' ' A' ' 46' ' ' GLY . 4.4 mp -137.52 110.51 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 0.823 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.968 ' HB3' HG23 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -124.22 142.11 51.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 0.0 110.092 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.996 HG21 ' HG2' ' A' ' 59' ' ' ARG . 83.1 t -122.23 168.67 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.553 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -94.08 171.28 8.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -108.63 -0.21 20.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -106.09 -19.92 13.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.828 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -38.99 -71.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' ' 58' ' ' LEU . . . 165.38 -114.1 0.58 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.582 ' H ' HD12 ' A' ' 58' ' ' LEU . 1.3 t30 -97.33 177.2 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.82 -24.68 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.72 -39.25 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.582 HD12 ' H ' ' A' ' 55' ' ' ASN . 2.5 mt -73.19 -43.67 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.996 ' HG2' HG21 ' A' ' 49' ' ' VAL . 2.1 tmt_? -67.07 -12.95 61.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.492 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -87.05 -36.72 18.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.355 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -37.19 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.973 HG21 ' HB2' ' A' ' 86' ' ' ALA . 12.8 mt -76.14 -26.65 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' ILE . 81.6 tttt -87.85 -59.48 2.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -49.12 -30.8 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.45 ' CB ' HD12 ' A' ' 98' ' ' ILE . . . -80.32 -26.51 38.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -79.96 -18.97 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -8.61 20.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -106.79 1.88 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.49 ' ND2' ' NE2' ' A' ' 73' ' ' HIS . 8.5 t-20 -117.94 -69.13 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.405 1.066 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 1.193 ' CD2' HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -38.79 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASN . 13.3 mmmt -51.14 -21.82 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.605 HG22 ' CD2' ' A' ' 73' ' ' HIS . 2.6 m -98.01 -42.24 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.257 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.756 ' ND1' HD21 ' A' ' 106' ' ' LEU . 10.6 m-70 -68.17 -17.19 64.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.198 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' PHE . 6.4 tttp -70.78 -15.35 62.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.222 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 t -100.98 38.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.871 ' CE1' ' CE1' ' A' ' 112' ' ' PHE . 0.3 OUTLIER -169.4 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.655 HD12 ' NE2' ' A' ' 76' ' ' HIS . 0.6 OUTLIER -45.71 138.85 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.773 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -113.94 179.53 3.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.559 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -52.84 130.54 33.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.232 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.628 ' O ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER 159.34 112.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -67.97 93.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.075 HG21 HG11 ' A' ' 111' ' ' VAL . 1.1 pp -105.2 172.59 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 1.075 HG22 HD11 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -171.38 114.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.042 ' C ' HD13 ' A' ' 85' ' ' ILE . 1.4 m -91.99 134.64 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.075 HD11 HG22 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -119.31 149.7 21.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.973 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -90.59 103.64 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.484 ' HD2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -46.78 175.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 110.238 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.5 OUTLIER -74.0 -48.87 6.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.4 Cg_endo -74.98 5.8 3.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 29' ' ' GLN . . . -76.32 -1.49 26.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -15.65 57.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.32 13.36 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.487 ' HG2' ' N ' ' A' ' 94' ' ' THR . 10.5 ttp -101.99 146.85 27.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.487 ' N ' ' HG2' ' A' ' 93' ' ' MET . 1.7 p -104.77 148.31 26.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.377 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -49.47 -22.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.86 -40.56 91.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.59 -22.77 46.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 102' ' ' LEU . 19.1 mt -60.11 -57.96 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -55.05 -33.5 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -83.06 -8.04 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.214 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.466 ' CB ' ' ND2' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -96.62 -51.18 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.977 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.771 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.9 OUTLIER -53.27 -30.77 40.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.88 1.96 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.591 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.8 OUTLIER -123.29 -70.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 1.024 HG22 ' HB ' ' A' ' 32' ' ' VAL . 11.9 p -43.95 -57.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.771 HD23 ' O ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -65.86 -41.45 91.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.223 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.439 ' N ' ' HG ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -51.3 -42.13 60.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.17 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 104' ' ' HIS . 14.9 mt -71.42 -37.94 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.229 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.068 ' HB2' HG11 ' A' ' 32' ' ' VAL . . . -42.58 -40.9 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 29.1 tttm 93.53 22.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.075 HG11 HG21 ' A' ' 82' ' ' ILE . 12.3 m -88.12 26.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.871 ' CE1' ' CE1' ' A' ' 76' ' ' HIS . 9.9 m-85 -114.6 122.06 45.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.773 ' N ' HD11 ' A' ' 78' ' ' LEU . 13.7 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.518 ' CB ' ' O ' ' A' ' 43' ' ' PHE . 6.8 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.533 0.206 . . . . 0.0 111.042 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 10' ' ' LYS . 6.3 mtm-85 -72.68 117.53 14.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.873 HG13 HD11 ' A' ' 83' ' ' ILE . 5.8 mm -43.05 95.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ARG . 4.4 mtpt -105.85 4.08 29.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 141.26 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' PHE . 1.2 m120 -60.93 -59.85 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.99 -54.93 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' CB ' HG23 ' A' ' 9' ' ' ILE . 75.8 m-20 -45.91 -33.66 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.833 ' CE1' HG21 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.38 -42.97 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 17' ' ' ARG . 1.3 pp0? -64.62 -29.86 70.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -60.09 -40.02 88.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.555 ' N ' HD13 ' A' ' 18' ' ' ILE . 3.4 mm -64.03 -67.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -44.55 -25.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -72.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -46.02 2.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.78 108.74 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.607 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 6.8 t-160 179.8 58.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 109.596 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.514 ' HB3' ' CD2' ' A' ' 33' ' ' TYR . 79.3 p -109.21 161.73 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 1.021 HG11 HG22 ' A' ' 108' ' ' ILE . 22.3 m -137.88 125.48 29.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB1' ' HD3' ' A' ' 87' ' ' ARG . . . -107.85 132.35 53.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.535 ' CG ' ' HB ' ' A' ' 105' ' ' VAL . 11.8 p-10 -107.74 -145.23 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.524 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -35.52 -70.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.787 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -143.89 27.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.548 ' C ' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -132.69 151.62 51.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 26' ' ' ALA . 1.2 m -135.53 142.89 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.976 HG12 HG12 ' A' ' 84' ' ' VAL . 12.1 m -127.26 133.27 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.521 ' HB3' HG21 ' A' ' 18' ' ' ILE . 18.0 m-85 -111.33 133.03 53.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 34.2 p -137.19 176.66 8.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.301 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.535 ' O ' ' HB3' ' A' ' 43' ' ' PHE . 2.9 m170 . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.628 ' CZ ' ' HG3' ' A' ' 74' ' ' LYS . 3.1 p90 175.1 165.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 111.046 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.542 ' HB3' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -135.0 -174.7 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.057 HD11 ' CD1' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -168.15 105.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.467 ' O ' HD12 ' A' ' 47' ' ' ILE . . . -88.14 -69.99 1.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.632 HG23 HG21 ' A' ' 66' ' ' ILE . 1.2 mt 75.33 111.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.981 ' CB ' HG23 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -134.83 168.49 18.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.718 HG11 ' HB2' ' A' ' 59' ' ' ARG . 3.1 t -159.81 148.21 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.3 t -93.82 159.43 15.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -94.3 -2.51 52.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -17.59 35.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 88' ' ' GLN . 2.3 mt -48.83 -66.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.545 ' N ' HD21 ' A' ' 58' ' ' LEU . . . 173.13 -99.68 0.14 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.442 1.089 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.556 HD22 HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -102.98 -167.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.749 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -94.58 -22.27 18.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.556 HG12 HD22 ' A' ' 55' ' ' ASN . 3.7 p -62.14 -23.31 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.051 HD12 ' N ' ' A' ' 59' ' ' ARG . 1.7 pp -86.03 -36.92 19.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 1.051 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.41 -7.48 53.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.232 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -91.95 -28.58 17.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.436 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -87.11 -33.08 19.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.8 HG21 ' HB2' ' A' ' 86' ' ' ALA . 37.2 mt -68.94 -36.38 73.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' CD ' ' C ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -85.12 -40.26 16.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 11.1 ttt180 -56.31 -63.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB2' ' OG1' ' A' ' 95' ' ' THR . . . -55.43 -31.65 62.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.632 HG21 HG23 ' A' ' 47' ' ' ILE . 1.7 mt -57.28 -41.8 78.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -93.96 9.34 37.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -99.27 -17.15 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -115.74 -5.14 12.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 1.057 ' CD1' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -99.34 -31.58 11.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -9.46 41.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.92 -49.79 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.372 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 79.1 m-70 -79.33 -0.58 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.686 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.628 ' HG3' ' CZ ' ' A' ' 43' ' ' PHE . 1.5 ttpt -42.74 -37.78 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.51 -26.96 21.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.626 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 17.3 m-70 -67.05 -44.51 80.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.7 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -56.78 155.68 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.848 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.85 170.91 8.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.465 ' HA ' ' C ' ' A' ' 42' ' ' HIS . . . -62.07 105.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER 177.65 103.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.6 t70 -33.53 123.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.924 HD13 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -128.55 143.33 41.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 1.064 HG22 HD11 ' A' ' 85' ' ' ILE . 16.3 mt -156.63 110.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.037 ' C ' HD13 ' A' ' 85' ' ' ILE . 6.8 m -97.69 130.65 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.064 HD11 HG22 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -120.07 163.88 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.8 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -97.49 111.44 23.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.508 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 18.1 mmm180 -33.93 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.604 ' O ' HD23 ' A' ' 53' ' ' LEU . 5.1 tp60 166.16 -46.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.03 4.97 4.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.367 1.719 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.981 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -90.99 18.48 6.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.378 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.513 ' HB3' ' CA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.2 -8.74 48.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.64 31.39 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.981 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -88.41 -170.17 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 93' ' ' MET . 1.7 p -155.89 160.09 39.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -52.76 -17.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.464 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.496 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.9 tm? -80.81 -49.45 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -70.3 -33.39 71.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.565 HG21 ' HB3' ' A' ' 65' ' ' ALA . 43.0 mt -58.33 -52.92 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.02 -37.8 86.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.73 -31.47 72.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.5 m -69.35 -46.64 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.654 HD23 HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -53.77 -26.84 25.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -2.3 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.51 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.9 OUTLIER -133.97 -75.02 0.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.093 . . . . 0.0 109.578 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 106' ' ' LEU . 5.2 p -36.64 -56.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 1.032 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -70.32 -39.31 74.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.726 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -53.25 -21.06 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.364 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 1.021 HG22 HG11 ' A' ' 25' ' ' VAL . 4.8 mt -91.64 -35.72 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -58.74 -38.24 77.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 81.48 27.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.285 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.032 HG22 HD13 ' A' ' 106' ' ' LEU . 6.2 m -91.3 24.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.726 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 2.0 p90 -137.85 116.96 12.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.719 ' N ' HD11 ' A' ' 78' ' ' LEU . 72.9 m-20 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.812 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.504 0.192 . . . . 0.0 111.027 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.36 144.38 46.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 44' ' ' ARG . 1.1 mt -134.07 123.15 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 4.5 tttt -37.04 -36.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.587 ' HA ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 91.4 -13.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -113.84 -95.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.54 -41.03 63.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 18' ' ' ILE . 3.7 m-20 -63.47 -25.54 68.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.684 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 0.5 OUTLIER -89.62 -38.2 14.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -65.82 -45.03 83.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -21.77 7.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.468 ' N ' HD13 ' A' ' 18' ' ' ILE . 2.0 mm -84.67 -59.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.568 ' CD2' ' CE2' ' A' ' 33' ' ' TYR . 21.0 m-85 -61.59 -14.02 26.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -55.01 -79.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -127.42 12.93 7.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.25 -178.73 7.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.578 ' CD2' HG13 ' A' ' 25' ' ' VAL . 2.4 t-160 -118.11 109.57 16.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 33' ' ' TYR . 49.6 p -93.82 140.78 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.083 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.578 HG13 ' CD2' ' A' ' 23' ' ' HIS . 34.8 m -132.15 124.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -119.27 130.6 55.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.459 ' N ' HG23 ' A' ' 105' ' ' VAL . 19.2 t-20 -85.45 -94.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -111.61 -55.42 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.677 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -132.35 14.12 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.367 1.042 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HE2' HG23 ' A' ' 98' ' ' ILE . 1.4 t80 -123.63 145.12 49.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.477 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -137.13 114.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 109' ' ' ALA . 27.0 m -113.4 114.35 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.568 ' CE2' ' CD2' ' A' ' 19' ' ' TYR . 5.5 m-85 -93.86 137.0 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.5 p -137.15 162.69 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.6 t . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.401 ' CD2' ' N ' ' A' ' 42' ' ' HIS . 2.9 m-70 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.812 ' CZ ' ' CE1' ' A' ' 7' ' ' TYR . 29.2 p90 -58.75 174.76 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.659 ' O ' HG22 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -131.88 163.39 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.671 HD11 ' CG ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -152.78 98.03 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.425 ' O ' ' HB ' ' A' ' 47' ' ' ILE . . . -91.83 -57.38 1.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.831 HG23 HG21 ' A' ' 66' ' ' ILE . 1.9 mp 74.35 111.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.502 ' OG ' ' CZ ' ' A' ' 15' ' ' PHE . 4.4 m -140.86 173.28 11.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.811 HG12 HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -129.47 -156.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.63 ' CB ' HD12 ' A' ' 53' ' ' LEU . 19.8 t -101.54 172.08 7.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.58 -3.27 55.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -19.42 12.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.07 HD23 HD22 ' A' ' 58' ' ' LEU . 1.8 mt -79.6 -101.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 42.35 85.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.986 ' N ' HD11 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -156.5 -165.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 60' ' ' ASN . . . -116.57 -20.25 9.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 p -85.54 -32.41 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.07 HD22 HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -88.16 -43.56 11.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.857 ' H ' HD12 ' A' ' 58' ' ' LEU . 15.6 mtp85 -66.26 -6.6 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.2 m-20 -95.15 -18.6 20.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -115.27 -12.07 11.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.821 HD11 ' O ' ' A' ' 90' ' ' ALA . 51.9 mt -108.25 -31.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 59' ' ' ARG . 1.1 ttpp -97.47 -4.97 37.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 ttt85 -86.89 -50.76 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.698 ' HB2' HG23 ' A' ' 95' ' ' THR . . . -69.87 -16.83 63.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.831 HG21 HG23 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -79.31 -30.33 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 11.13 30.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -115.72 -0.63 12.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -118.71 -61.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.671 ' CG ' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -50.21 -18.28 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -46.14 90.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 69' ' ' ASN . 3.1 m -81.73 -43.62 19.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.592 ' HB3' HD13 ' A' ' 77' ' ' ILE . 75.2 m-70 -72.39 -3.99 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.684 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -48.37 -27.04 2.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -102.42 -17.32 15.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 2.1 m170 -83.9 -14.87 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.592 HD13 ' HB3' ' A' ' 73' ' ' HIS . 1.7 mp -96.9 146.11 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.86 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.74 173.31 6.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.378 1.049 . . . . 0.0 109.257 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.467 ' O ' ' CD ' ' A' ' 80' ' ' LYS . . . -53.26 122.96 10.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER 171.24 108.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.2 t0 -39.98 105.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.998 HG12 HG11 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -103.98 144.89 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.944 HD13 ' O ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -144.67 83.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 84' ' ' VAL . 16.6 m -73.56 98.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -102.49 159.3 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.675 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -106.94 117.99 35.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.603 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -49.75 -170.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.496 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -82.76 -56.76 0.48 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.603 ' HD2' ' HB3' ' A' ' 87' ' ' ARG . 18.1 Cg_endo -75.07 10.51 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.547 1.814 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.821 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -85.55 19.62 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -90.04 -38.22 13.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.08 25.59 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.543 ' HG2' ' N ' ' A' ' 94' ' ' THR . 10.1 ttp -99.84 152.72 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.543 ' N ' ' HG2' ' A' ' 93' ' ' MET . 7.9 p -110.9 146.17 37.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.698 HG23 ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -47.05 -22.6 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 1.8 tm? -65.39 -38.77 91.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.7 mt-30 -78.55 -30.51 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.693 HG21 ' HB3' ' A' ' 65' ' ' ALA . 97.2 mt -63.41 -56.89 14.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.489 ' NE2' HG22 ' A' ' 95' ' ' THR . 2.8 pt20 -56.73 -24.23 48.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 96' ' ' LEU . 50.9 m-20 -90.49 -15.45 30.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.84 -47.72 6.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.905 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -52.7 -33.26 46.86 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -0.91 12.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.607 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -128.02 -72.08 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.628 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 30' ' ' PHE . 2.6 p -44.32 -50.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.91 HD12 ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -70.31 -39.42 74.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -52.79 -40.64 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.576 HD11 ' NE2' ' A' ' 104' ' ' HIS . 45.3 mt -74.18 -36.85 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -38.56 -30.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.1 OUTLIER 88.12 14.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.998 HG11 HG12 ' A' ' 82' ' ' ILE . 33.6 m -93.15 29.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 106' ' ' LEU . 1.2 m-85 -124.7 115.5 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.86 ' N ' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.65 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.52 0.2 . . . . 0.0 111.028 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.63 123.67 49.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.769 HD11 ' HB3' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -88.83 -157.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.406 1.066 . . . . 0.0 109.238 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.655 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER 160.26 -27.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.367 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.67 153.44 27.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.0 m-20 -79.69 -22.92 42.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.48 -53.02 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.564 ' HB3' HG21 ' A' ' 9' ' ' ILE . 6.6 m-20 -63.26 -28.65 70.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.696 ' CE2' HG21 ' A' ' 83' ' ' ILE . 1.6 m-85 -84.77 -19.27 32.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -90.9 -46.2 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.58 -30.86 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.445 HG23 ' HB3' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -82.84 -48.23 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.647 ' CZ ' ' CZ ' ' A' ' 33' ' ' TYR . 5.8 m-85 -67.99 -8.67 39.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -64.47 -83.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.96 13.57 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.31 -157.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -136.93 93.33 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.573 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.548 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 74.8 p -97.54 136.81 37.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.08 . . . . 0.0 110.056 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.917 HG11 HG22 ' A' ' 108' ' ' ILE . 17.7 m -103.97 -175.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -177.51 126.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.553 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 2.5 p30 -83.66 -89.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 5.8 ttm180 -122.51 -46.59 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -138.14 18.72 2.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.775 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -137.61 131.56 31.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -130.7 128.59 63.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.046 HG12 HG12 ' A' ' 84' ' ' VAL . 17.5 m -116.21 105.8 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.647 ' CZ ' ' CZ ' ' A' ' 19' ' ' TYR . 7.9 m-85 -78.75 123.02 26.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.595 HG21 ' HB1' ' A' ' 109' ' ' ALA . 44.9 p -137.84 150.34 47.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.445 ' HB3' HG23 ' A' ' 18' ' ' ILE . 2.6 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.268 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.516 ' O ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.65 ' CE1' ' CD2' ' A' ' 7' ' ' TYR . 32.9 p90 168.88 110.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.769 ' HB3' HD11 ' A' ' 9' ' ' ILE . 40.0 mtt-85 -65.66 84.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' HG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -77.31 98.63 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.59 138.99 15.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.705 HG12 HD13 ' A' ' 66' ' ' ILE . 5.0 mt -120.31 128.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.468 ' C ' HG23 ' A' ' 49' ' ' VAL . 1.4 m -136.21 167.12 21.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.776 ' CG1' HD13 ' A' ' 53' ' ' LEU . 39.5 t -154.48 173.05 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.594 ' N ' HG12 ' A' ' 49' ' ' VAL . 30.1 t -93.02 162.5 14.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.054 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -99.23 1.62 44.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -107.51 -17.35 14.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.066 HD22 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -39.98 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.691 ' CA ' HD21 ' A' ' 58' ' ' LEU . . . 174.25 -114.36 0.5 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.58 ' CG ' HG12 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -92.9 -172.31 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.65 -24.5 27.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.373 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.58 HG12 ' CG ' ' A' ' 55' ' ' ASN . 4.2 p -57.66 -40.74 76.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.066 HD13 HD22 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -73.95 -28.69 61.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.989 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -77.74 -11.55 59.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -90.67 -36.38 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HA ' ' CG ' ' A' ' 64' ' ' ARG . 2.4 tttp -75.79 -10.34 59.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.073 HG21 ' HB2' ' A' ' 86' ' ' ALA . 66.2 mt -98.12 -32.22 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.676 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -89.91 -35.65 15.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HB3' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -68.46 -33.76 74.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 1.007 ' HB2' ' OG1' ' A' ' 95' ' ' THR . . . -59.67 -42.34 92.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.705 HD13 HG12 ' A' ' 47' ' ' ILE . 21.3 mt -56.32 -45.89 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -2.94 22.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -23.58 14.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.236 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.55 ' O ' HG22 ' A' ' 72' ' ' VAL . 1.1 t30 -108.83 -61.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CE1' HG12 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -53.23 -17.93 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.441 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -64.85 -51.17 63.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.2 m -74.54 -40.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.188 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 89.2 m-70 -77.05 0.54 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -52.92 -45.06 67.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.15 10.58 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.587 1.179 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 0.7 OUTLIER -113.24 -30.28 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.626 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.56 HG12 ' CE1' ' A' ' 70' ' ' PHE . 1.6 mp -75.99 153.56 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.755 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -122.46 174.55 6.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.53 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -59.78 136.45 58.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.613 ' O ' HG22 ' A' ' 82' ' ' ILE . 1.3 mtpm? 161.96 127.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -63.61 97.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.89 HD11 HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -115.76 152.75 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.696 HG21 ' CE2' ' A' ' 15' ' ' PHE . 22.6 mt -152.45 106.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.046 HG12 HG12 ' A' ' 32' ' ' VAL . 2.0 m -92.16 127.07 44.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.541 ' HB ' HG13 ' A' ' 31' ' ' VAL . 2.5 mp -115.09 167.97 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.073 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -90.75 42.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.523 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 18.5 tpt180 33.97 -92.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -169.84 -56.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 87' ' ' ARG . 18.1 Cg_endo -75.01 6.94 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.545 1.813 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.99 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -78.02 42.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.723 ' CB ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -120.41 -0.2 10.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -122.9 12.28 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.559 ' HE3' ' HB1' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -117.22 161.43 19.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 97' ' ' GLN . 7.4 p -112.83 157.45 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 1.007 ' OG1' ' HB2' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -47.44 -21.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -72.5 -39.97 67.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.2 mt-30 -81.91 -34.66 29.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.629 HG22 ' HA ' ' A' ' 95' ' ' THR . 2.0 tt -66.29 -42.9 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 95' ' ' THR . 3.2 pt20 -71.09 -28.94 64.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -73.32 -20.8 60.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.374 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.436 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -103.35 -23.55 13.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.916 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 106' ' ' LEU . 1.6 tt -57.43 -33.5 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 1.9 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.576 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -115.15 -70.54 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 109.566 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.775 HG21 ' O ' ' A' ' 30' ' ' PHE . 4.8 p -43.89 -49.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.68 HD21 ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -67.44 -39.32 85.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -23.77 58.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.917 HG22 HG11 ' A' ' 25' ' ' VAL . 3.2 mt -90.7 -21.01 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.825 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -64.27 -26.96 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt 80.9 17.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.667 HG22 HD12 ' A' ' 106' ' ' LEU . 6.5 m -91.1 26.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.68 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -128.05 118.75 24.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.684 ' N ' HD11 ' A' ' 78' ' ' LEU . 69.6 m-80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.758 ' CD2' ' CZ ' ' A' ' 43' ' ' PHE . 5.2 m-30 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.479 0.181 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.71 132.77 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.45 ' C ' ' N ' ' A' ' 11' ' ' LYS . 5.1 mt -105.5 114.83 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -39.57 -29.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 91.07 -9.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.206 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.7 m-20 -121.54 -89.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.41 -47.92 62.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.599 ' O ' HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -58.81 -23.33 60.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.669 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -94.0 -33.44 13.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ASN . 4.9 pt20 -68.68 -41.87 78.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.474 ' C ' HD13 ' A' ' 18' ' ' ILE . 86.0 mtt180 -59.14 -22.92 61.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.803 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -82.15 -59.69 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.605 ' CD1' ' CE2' ' A' ' 33' ' ' TYR . 9.4 m-85 -60.42 -13.54 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 -15.95 14.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.426 ' HA2' ' CB ' ' A' ' 35' ' ' CYS . . . -42.31 165.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 23' ' ' HIS . 8.1 p-80 -115.69 106.86 14.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.607 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.652 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 16.5 p -89.99 141.6 28.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.663 HG22 HG23 ' A' ' 32' ' ' VAL . 3.8 m -128.63 151.72 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.777 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -141.1 139.17 33.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.653 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 9.1 p30 -89.65 -81.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.653 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -123.08 -49.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 2.9 pm0 -140.09 9.82 2.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.787 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -131.75 136.15 47.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.777 HG12 ' CB ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -124.14 148.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.014 HG12 HG12 ' A' ' 84' ' ' VAL . 15.4 m -130.86 113.49 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.652 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 5.0 m-85 -87.23 118.07 26.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.667 HG21 ' HB1' ' A' ' 109' ' ' ALA . 12.1 p -141.8 155.22 45.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.426 ' CB ' ' HA2' ' A' ' 22' ' ' GLY . 44.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 108.283 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.758 ' CZ ' ' CD2' ' A' ' 7' ' ' TYR . 45.1 p90 -54.84 -166.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.434 ' HB2' HG13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 179.06 126.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.078 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -99.1 138.43 36.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.19 -46.87 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.556 HG13 HD23 ' A' ' 45' ' ' LEU . 1.8 mt 71.75 139.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.658 ' HB3' HG23 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -148.98 140.73 23.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.724 HG13 HD12 ' A' ' 53' ' ' LEU . 2.0 t -146.66 159.6 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 23.9 t -93.38 160.16 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 2.92 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -100.13 -14.84 18.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 91' ' ' LYS . 28.1 mt -43.71 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.623 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 179.51 -116.84 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -174.34 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . . . -88.98 -22.73 22.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.13 -29.26 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.039 HD12 ' N ' ' A' ' 59' ' ' ARG . 2.7 pp -88.38 -39.57 14.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 1.039 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -73.11 -5.33 38.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -94.13 -34.67 12.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -36.12 60.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.838 ' O ' HD13 ' A' ' 66' ' ' ILE . 85.3 mt -64.07 -32.56 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -92.01 -48.03 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 7.3 ttt180 -50.45 -68.56 0.16 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.695 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -52.43 -25.72 10.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.838 HD13 ' O ' ' A' ' 62' ' ' ILE . 1.0 OUTLIER -68.13 -39.54 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 4.15 50.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 110.233 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.44 -4.7 14.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.421 ' HB2' ' OE1' ' A' ' 99' ' ' GLN . 2.5 t30 -120.75 -3.99 9.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 1.078 ' CE2' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -98.8 -33.27 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -53.37 -23.07 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.203 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.416 HG23 ' CD2' ' A' ' 73' ' ' HIS . 19.5 m -91.99 -39.25 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.593 1.183 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.798 ' CE1' HD21 ' A' ' 106' ' ' LEU . 24.2 m-70 -74.59 -12.36 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.562 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.41 -6.56 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.2 -11.47 26.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.605 ' HE2' ' CG ' ' A' ' 73' ' ' HIS . 0.8 OUTLIER -134.36 17.82 3.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.722 ' CG2' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -80.93 142.51 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 1.023 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.55 156.41 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -39.27 114.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER 172.4 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.504 ' O ' HG22 ' A' ' 34' ' ' THR . 0.4 OUTLIER -34.42 96.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.927 HD13 HG11 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -87.93 113.25 24.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.669 ' CG2' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -140.51 98.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.014 HG12 HG12 ' A' ' 32' ' ' VAL . 3.8 m -90.94 114.76 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.658 HG23 ' HB3' ' A' ' 48' ' ' SER . 2.1 mp -102.46 149.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.781 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -94.69 118.21 31.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' ALA . 2.1 tpt180 -59.24 -146.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.527 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -86.85 -58.92 0.28 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.337 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.5 Cg_endo -74.96 6.54 3.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.797 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.668 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -62.73 -13.95 38.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.372 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.834 ' HB3' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -83.52 -25.04 31.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 7.2 m-20 -81.44 -5.47 57.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.593 ' O ' HG23 ' A' ' 94' ' ' THR . 0.0 OUTLIER -74.89 -172.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 98' ' ' ILE . 1.5 p -156.84 160.99 39.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 1.3 m -49.06 -17.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 96' ' ' LEU . 3.0 tm? -83.0 -45.9 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.42 ' C ' ' N ' ' A' ' 99' ' ' GLN . 36.3 mt-30 -72.49 -40.75 66.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.695 HG21 ' HB3' ' A' ' 65' ' ' ALA . 1.0 OUTLIER -44.91 -25.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.421 ' OE1' ' HB2' ' A' ' 69' ' ' ASN . 4.1 mm100 -88.12 -43.3 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -67.01 -9.77 42.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.404 ' CB ' HD21 ' A' ' 27' ' ' ASN . 0.5 OUTLIER -89.73 -66.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.781 ' HB3' HD23 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -45.21 -44.82 11.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -47.41 -27.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.845 ' NE2' HD11 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -111.21 -75.82 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.523 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.716 HG22 HG22 ' A' ' 32' ' ' VAL . 7.9 p -36.86 -54.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 1.033 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -63.16 -45.3 92.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.655 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 6.0 tmtt? -49.52 -26.2 3.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.241 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.845 HD11 ' NE2' ' A' ' 104' ' ' HIS . 16.7 mt -85.45 -39.19 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.901 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -53.69 -39.78 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.511 ' O ' HD21 ' A' ' 78' ' ' LEU . 3.1 tttm 82.88 31.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.033 HG22 HD13 ' A' ' 106' ' ' LEU . 11.4 m -88.93 20.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.721 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -158.3 137.54 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.636 ' H ' ' ND2' ' A' ' 113' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.509 0.195 . . . . 0.0 111.032 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -76.18 172.72 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.849 HG21 HD11 ' A' ' 83' ' ' ILE . 2.3 mm -124.47 70.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 -19.83 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -87.89 115.96 25.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -42.56 -43.69 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.92 -43.43 49.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' LYS . 31.5 m-20 -57.02 -26.84 60.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.592 ' CD2' HG22 ' A' ' 9' ' ' ILE . 1.8 m-85 -94.46 -37.12 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -38.32 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -22.53 47.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.583 HD12 ' HB2' ' A' ' 81' ' ' ASP . 1.5 mm -87.09 -54.33 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.527 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 4.7 m-85 -64.38 -12.79 46.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.07 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -59.59 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.26 12.68 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.34 173.73 3.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.162 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.526 ' CD2' HG13 ' A' ' 25' ' ' VAL . 23.3 t60 -117.67 107.34 14.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 0.806 . . . . 0.0 109.626 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.632 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 73.1 p -94.7 139.7 30.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.818 HG11 HG22 ' A' ' 108' ' ' ILE . 34.1 m -130.32 127.98 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -122.12 132.5 54.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.613 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 2.6 p-10 -85.61 -81.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.613 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -122.41 -53.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.525 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -129.51 -2.68 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -105.55 146.01 30.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.946 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -139.62 105.18 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 109' ' ' ALA . 23.0 m -102.38 132.34 48.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.65 ' CD1' ' CD1' ' A' ' 85' ' ' ILE . 3.1 m-85 -105.16 149.57 25.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.811 HG22 HG22 ' A' ' 82' ' ' ILE . 3.9 p -149.79 163.57 37.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 39.2 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 108.261 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.552 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 36.8 p90 -46.9 86.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -75.86 91.24 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.891 HD11 ' CD2' ' A' ' 70' ' ' PHE . 1.7 mt -78.21 138.39 38.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.665 ' O ' HD12 ' A' ' 47' ' ' ILE . . . -118.58 -141.51 6.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -167.81 122.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.401 0.706 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.973 ' CB ' HG23 ' A' ' 85' ' ' ILE . 54.2 m -140.84 138.11 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 50' ' ' SER . 55.5 t -152.56 168.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.609 ' HB3' HD12 ' A' ' 53' ' ' LEU . 29.6 t -90.3 160.7 16.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -7.11 23.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -14.23 26.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.753 HD11 ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -45.92 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.842 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . -168.96 -114.58 0.3 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.16 -179.91 4.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -67.54 -22.45 65.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.7 -28.93 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.842 HD12 ' HA3' ' A' ' 54' ' ' GLY . 12.9 mt -70.91 -47.14 60.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.542 ' CB ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -79.25 -0.07 30.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.7 m-20 -100.39 -31.0 11.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.13 -16.7 34.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.392 1.057 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.001 HD11 ' O ' ' A' ' 90' ' ' ALA . 26.1 mt -88.01 -32.96 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CG ' HG12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -93.22 -16.2 25.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.369 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 6.5 ttt180 -79.41 -60.94 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.706 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -40.8 -52.32 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.778 HG13 HG11 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -53.52 -44.46 56.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ARG . 9.0 mtp-105 -68.58 -7.35 31.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.83 -13.29 14.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.417 ' O ' HG22 ' A' ' 72' ' ' VAL . 13.4 t-20 -96.03 -55.48 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.891 ' CD2' HD11 ' A' ' 45' ' ' LEU . 2.0 m-85 -60.27 -11.77 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.04 -47.4 86.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.461 ' CG2' ' CD2' ' A' ' 73' ' ' HIS . 2.7 m -74.93 -42.74 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.595 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 74.9 m-70 -78.4 6.42 8.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -55.41 -43.16 75.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.64 -0.25 54.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.595 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 0.7 OUTLIER -102.07 -24.33 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.59 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.616 ' CG2' ' CB ' ' A' ' 43' ' ' PHE . 1.7 mp -82.63 142.07 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.906 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -109.69 169.33 8.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.501 ' O ' ' CG ' ' A' ' 80' ' ' LYS . . . -61.33 129.71 42.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' CG ' ' O ' ' A' ' 79' ' ' ALA . 9.8 mttt 167.77 118.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.583 ' HB2' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -51.25 112.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.381 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 1.04 HG21 ' CG1' ' A' ' 111' ' ' VAL . 1.6 pp -128.59 -169.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.849 HD11 HG21 ' A' ' 9' ' ' ILE . 0.2 OUTLIER 173.41 130.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.778 HG11 HG13 ' A' ' 66' ' ' ILE . 16.9 m -98.52 108.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.215 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.973 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -111.08 147.36 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.768 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -97.88 124.13 42.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.576 ' O ' ' O ' ' A' ' 86' ' ' ALA . 21.6 mmm180 -47.42 -171.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.266 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.516 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.8 OUTLIER -56.32 -50.83 85.37 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.538 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 -97.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.001 ' O ' HD11 ' A' ' 62' ' ' ILE . . . 60.08 5.18 0.73 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.498 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -96.08 -36.18 11.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -80.67 -0.4 38.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.525 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 6.3 ttp -101.24 140.23 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 97' ' ' GLN . 10.9 p -107.23 151.81 24.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.392 1.057 . . . . 0.0 110.377 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.87 ' HA ' HD12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -47.64 -23.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.6 -38.71 90.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 94' ' ' THR . 20.5 mt-30 -83.85 -17.49 40.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 95' ' ' THR . 81.9 mt -69.55 -58.04 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.27 -16.17 13.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -100.28 -18.02 17.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -91.83 -41.19 10.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.793 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -52.86 -23.9 7.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.62 1.44 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.523 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.7 OUTLIER -126.26 -75.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 32' ' ' VAL . 4.3 p -42.19 -52.65 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.814 HD12 ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -67.04 -39.75 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -56.22 -35.19 67.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.818 HG22 HG11 ' A' ' 25' ' ' VAL . 14.0 mt -79.84 -26.73 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.11 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -49.91 -34.57 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 15.6 tttm 88.11 20.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.04 ' CG1' HG21 ' A' ' 82' ' ' ILE . 21.9 m -90.84 26.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -127.2 125.38 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.598 ' CG ' HD12 ' A' ' 78' ' ' LEU . 69.2 m-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.501 ' HE1' ' CE2' ' A' ' 43' ' ' PHE . 22.4 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.576 0.227 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.45 150.88 29.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.726 HD13 ' HB3' ' A' ' 44' ' ' ARG . 18.4 mm -61.05 102.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' ILE . 1.2 tptp -39.34 -44.96 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -161.99 159.31 26.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' PHE . 3.2 t-20 -45.67 -40.46 9.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' GLN . . . -40.54 -65.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.519 ' HB2' HG23 ' A' ' 9' ' ' ILE . 1.8 m-20 -40.42 -37.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 1.185 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -78.61 -41.61 31.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.054 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 4.7 pt20 -66.69 -44.32 82.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.462 ' N ' ' CG ' ' A' ' 16' ' ' GLN . 2.9 mpt_? -50.88 -24.17 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.663 HD12 HD12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.96 -50.09 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -64.43 -13.13 49.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -78.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -127.53 11.41 6.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.239 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.36 167.05 0.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -122.7 106.85 11.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.554 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.662 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 51.6 p -105.36 164.42 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.834 HG11 HG22 ' A' ' 108' ' ' ILE . 24.4 m -137.94 128.45 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.53 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -114.36 131.47 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.636 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 6.2 p30 -85.03 -89.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.636 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 3.4 mmt85 -115.66 -45.74 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.725 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 7.6 mt-30 -144.99 14.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.596 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -134.09 134.29 42.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.58 HG23 HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -123.32 149.07 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.07 HG12 HG12 ' A' ' 84' ' ' VAL . 14.0 m -132.63 106.32 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.662 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 4.2 m-85 -80.32 123.01 27.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.583 HG21 ' HB1' ' A' ' 109' ' ' ALA . 65.1 p -139.73 154.17 47.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.424 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.243 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.458 ' N ' ' CB ' ' A' ' 79' ' ' ALA . 1.8 p-80 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.639 ' N ' ' HA ' ' A' ' 79' ' ' ALA . 12.9 p90 -103.39 107.51 18.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 111.057 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.726 ' HB3' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -66.79 95.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -77.46 92.2 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.89 -177.18 36.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.413 1.071 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.621 ' CG1' HG21 ' A' ' 66' ' ' ILE . 1.6 mp -145.95 131.76 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 0.794 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.763 ' HB3' HG23 ' A' ' 85' ' ' ILE . 13.6 m -133.88 130.22 37.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 50' ' ' SER . 2.5 t -115.04 162.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -95.32 169.45 10.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.03 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -0.18 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -108.71 -18.84 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.785 ' CD2' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -38.66 -69.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.749 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 170.82 -109.76 0.33 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.733 HD22 HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -91.49 -156.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.423 0.719 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -105.37 -19.73 13.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.733 HG12 HD22 ' A' ' 55' ' ' ASN . 2.8 p -70.32 -25.88 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.922 HD12 ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -85.77 -25.19 26.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.422 1.076 . . . . 0.0 109.235 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.922 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -87.89 -11.01 48.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.75 -31.4 20.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 -33.06 38.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.787 HG21 ' CB ' ' A' ' 86' ' ' ALA . 47.5 mt -72.51 -40.73 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.786 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -77.69 -26.21 50.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -72.28 -50.49 26.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.998 ' HB1' HG21 ' A' ' 98' ' ' ILE . . . -63.68 -20.2 65.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 63' ' ' LYS . 6.8 mt -64.68 -36.91 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -100.13 10.54 41.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.9 -3.38 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.345 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.56 ' O ' HG22 ' A' ' 72' ' ' VAL . 9.8 t-20 -121.92 -39.92 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.911 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.7 m-85 -73.67 5.63 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 2.52 28.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.661 HG22 ' CD2' ' A' ' 73' ' ' HIS . 1.4 m -108.0 -51.58 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.661 ' CD2' HG22 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -85.39 8.85 17.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.573 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -68.81 -9.13 49.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.47 -39.18 17.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -103.48 26.02 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -104.14 140.65 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.801 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -110.35 176.26 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.639 ' HA ' ' N ' ' A' ' 43' ' ' PHE . . . -59.52 -154.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 90.72 116.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.458 ' HB2' HD11 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -46.97 121.57 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.198 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.572 HD13 ' C ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER -127.12 136.87 59.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 1.185 HD13 ' CE1' ' A' ' 15' ' ' PHE . 96.7 mt -146.46 108.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.07 HG12 HG12 ' A' ' 32' ' ' VAL . 3.5 m -93.67 110.91 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.763 HG23 ' HB3' ' A' ' 48' ' ' SER . 0.9 OUTLIER -102.79 144.17 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.787 ' CB ' HG21 ' A' ' 62' ' ' ILE . . . -89.99 115.21 27.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.542 ' O ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -54.76 -164.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -81.11 -54.17 0.73 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 87' ' ' ARG . 18.0 Cg_endo -75.08 3.84 5.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.43 1.753 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 29' ' ' GLN . . . -60.19 -15.73 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -56.78 17.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 5.1 m-20 -47.58 -30.66 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.566 ' CG ' ' HB2' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -85.43 128.21 34.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.942 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 98' ' ' ILE . 12.9 p -118.74 -171.46 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.682 ' OG1' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -54.43 -15.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -91.05 -45.45 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.566 ' HB2' ' CG ' ' A' ' 93' ' ' MET . 33.8 mt-30 -78.47 -13.07 60.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.998 HG21 ' HB1' ' A' ' 65' ' ' ALA . 0.1 OUTLIER -64.7 -54.88 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.521 ' N ' HG22 ' A' ' 98' ' ' ILE . 8.7 mt-30 -55.52 -18.34 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.88 -17.9 27.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.435 ' OG ' ' ND2' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -98.31 -51.91 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.977 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -53.9 -26.2 23.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.82 0.82 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.212 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.493 ' CD2' ' HB3' ' A' ' 27' ' ' ASN . 1.2 t-160 -128.12 -75.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.893 HG22 HG22 ' A' ' 32' ' ' VAL . 6.2 p -39.02 -55.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.946 HD13 ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.82 -40.44 88.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.692 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 12.7 tttt -57.12 -17.46 10.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.834 HG22 HG11 ' A' ' 25' ' ' VAL . 2.6 mt -95.8 -39.19 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.692 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -50.36 -40.17 48.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 78.5 33.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.946 ' CG2' HD13 ' A' ' 106' ' ' LEU . 16.0 m -81.27 4.25 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.692 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 2.9 p90 -129.03 122.92 31.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.724 ' N ' HD11 ' A' ' 78' ' ' LEU . 5.3 p30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.397 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.827 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 11.8 m-85 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.484 0.183 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -77.77 118.88 20.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.25 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 9' ' ' ILE . 13.3 mt -89.96 98.34 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -100.86 4.57 42.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -111.96 161.63 16.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.4 m-20 -89.08 -19.98 24.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.15 73.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 9' ' ' ILE . 8.2 m-20 -61.87 -33.39 74.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.952 ' CE1' HD13 ' A' ' 83' ' ' ILE . 1.1 m-85 -80.18 -25.74 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 tt0 -85.12 -37.68 19.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -50.52 -25.5 4.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.698 HD11 ' OD1' ' A' ' 81' ' ' ASP . 1.1 mt -88.15 -48.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CE1' ' CD2' ' A' ' 33' ' ' TYR . 7.8 m-85 -64.96 -16.69 63.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -70.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -60.23 -22.66 63.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.36 122.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.592 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 7.4 t-160 179.22 59.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 109.623 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.627 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 2.6 p -97.32 158.87 15.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.558 HG22 HG12 ' A' ' 32' ' ' VAL . 19.0 m -150.28 128.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . . . -113.59 106.13 14.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.621 ' OD1' ' CE1' ' A' ' 104' ' ' HIS . 11.1 t-20 -53.68 -96.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.504 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.6 OUTLIER -124.53 -39.81 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.798 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 6.6 mt-30 -139.58 9.78 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.589 ' HE1' HG23 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -134.79 144.84 47.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.664 HG22 ' HB ' ' A' ' 85' ' ' ILE . 1.7 m -116.84 130.1 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.079 HG11 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -119.96 120.99 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.627 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 4.2 m-85 -109.01 95.53 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.895 HG21 ' HB1' ' A' ' 109' ' ' ALA . 7.7 p -114.08 147.23 39.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.376 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.411 ' C ' ' HA ' ' A' ' 79' ' ' ALA . 2.5 m170 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.827 ' CZ ' ' CZ ' ' A' ' 7' ' ' TYR . 54.6 p90 -74.78 108.0 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' O ' ' O ' ' A' ' 82' ' ' ILE . 5.1 mtt180 -86.58 96.78 10.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.023 HD13 ' CD2' ' A' ' 70' ' ' PHE . 9.0 mt -77.3 115.04 16.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.445 ' O ' HD13 ' A' ' 47' ' ' ILE . . . -101.03 153.88 19.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.688 HD12 HG21 ' A' ' 66' ' ' ILE . 32.8 mm -135.75 110.49 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.702 ' CB ' HG23 ' A' ' 85' ' ' ILE . 30.6 m -141.81 175.24 9.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.727 HG12 HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -137.59 -165.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.45 ' HB3' HD12 ' A' ' 53' ' ' LEU . 40.3 t -102.09 168.21 9.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -4.46 43.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -24.24 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.729 HD23 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -82.71 -104.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.454 ' N ' HD21 ' A' ' 58' ' ' LEU . . . 52.25 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.681 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -175.44 170.69 2.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 0.73 . . . . 0.0 109.253 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 60' ' ' ASN . . . -95.18 -21.51 18.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -81.05 -31.67 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.963 HD12 ' N ' ' A' ' 59' ' ' ARG . 4.1 pp -85.34 -45.68 11.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.963 ' N ' HD12 ' A' ' 58' ' ' LEU . 14.2 ttp180 -64.93 -8.44 15.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.1 m-20 -93.01 -14.95 26.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.748 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -115.22 -11.28 12.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.7 HG21 ' HB2' ' A' ' 86' ' ' ALA . 97.2 mt -108.71 -29.08 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -98.08 -15.95 19.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 8.1 ttt180 -70.51 -52.27 23.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.691 ' HB3' ' CG2' ' A' ' 98' ' ' ILE . . . -71.29 -23.37 61.94 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.962 HD12 HD11 ' A' ' 102' ' ' LEU . 0.7 OUTLIER -72.48 -37.82 58.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 10.12 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.28 -28.54 12.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -108.01 -9.76 15.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 1.023 ' CD2' HD13 ' A' ' 45' ' ' LEU . 2.1 m-30 -81.6 -8.24 59.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.69 -4.12 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -117.34 -45.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.685 ' HB3' HD13 ' A' ' 77' ' ' ILE . 86.8 m-70 -76.21 -7.76 55.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 1.5 tttm -45.21 -31.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -96.21 -21.97 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.942 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.524 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 3.5 m170 -76.01 -21.78 56.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' A' ' 73' ' ' HIS . 1.6 mp -95.57 144.29 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.831 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.91 175.14 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.61 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -55.67 133.61 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.61 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 155.43 110.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.698 ' OD1' HD11 ' A' ' 18' ' ' ILE . 3.8 t0 -41.75 103.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.771 HD12 HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -116.22 148.65 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.952 HD13 ' CE1' ' A' ' 15' ' ' PHE . 18.3 mt -154.57 114.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.916 HG12 HG22 ' A' ' 32' ' ' VAL . 4.1 m -100.67 94.72 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.702 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -91.07 143.75 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.7 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -86.16 121.26 28.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.71 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -57.1 -161.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.633 ' HB3' ' HD3' ' A' ' 89' ' ' PRO . 1.4 tm0? -81.61 -55.83 0.61 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.71 ' HD2' ' HB3' ' A' ' 87' ' ' ARG . 18.0 Cg_endo -75.03 6.6 3.31 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' A' ' 29' ' ' GLN . . . -70.15 -4.72 22.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.572 ' CB ' HD21 ' A' ' 53' ' ' LEU . 3.9 ptpp? -83.92 -29.81 26.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.5 0.1 35.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.515 ' CG ' ' NE2' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -75.95 -167.04 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.711 ' O ' HD12 ' A' ' 98' ' ' ILE . 63.4 p -150.3 169.12 22.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -9.31 7.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.475 HD13 ' ND2' ' A' ' 100' ' ' ASN . 1.4 tm? -95.63 -42.34 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -60.72 -58.99 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.748 HD13 ' O ' ' A' ' 61' ' ' LYS . 2.0 mp -37.18 -58.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.601 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 46.9 mt-30 -53.06 -44.81 67.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.475 ' ND2' HD13 ' A' ' 96' ' ' LEU . 39.8 m-20 -68.25 -24.2 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' HIS . 5.1 p -73.69 -56.71 4.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 66' ' ' ILE . 1.4 mp -47.49 -34.61 7.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.33 -4.97 6.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 110.343 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.633 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -130.7 -72.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.565 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.963 HG22 ' HB ' ' A' ' 32' ' ' VAL . 11.7 p -39.11 -53.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.774 HD23 ' HB3' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -71.89 -40.96 68.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.49 -40.71 27.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.528 HD11 ' NE2' ' A' ' 104' ' ' HIS . 54.8 mt -70.84 -45.5 73.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.079 ' HB2' HG11 ' A' ' 32' ' ' VAL . . . -37.39 -44.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 2.7 ttmt 91.28 24.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.692 ' CG2' HD13 ' A' ' 106' ' ' LEU . 32.3 m -84.26 17.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.502 ' CE2' HD11 ' A' ' 106' ' ' LEU . 5.7 m-85 -107.02 119.57 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.831 ' N ' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 42' ' ' HIS . 9.9 m-85 . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.559 0.219 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -73.0 133.17 44.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.01 HG21 ' CB ' ' A' ' 14' ' ' ASP . 1.4 mt -101.23 -155.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.728 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.1 OUTLIER 161.04 -26.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HG3' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -62.46 139.5 58.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.2 t-20 -59.3 -21.91 60.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.386 1.054 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB3' ' HG3' ' A' ' 11' ' ' LYS . . . -63.7 -67.34 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 1.01 ' CB ' HG21 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -58.56 -16.04 13.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -94.03 -20.61 19.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 tt0 -89.51 -53.19 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -42.63 -26.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.687 HG22 ' HD1' ' A' ' 33' ' ' TYR . 1.6 mt -90.65 -47.26 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.796 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 4.6 m-85 -68.52 -6.54 25.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -92.24 -79.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.24 -20.95 16.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 18' ' ' ILE . . . -49.96 177.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -139.75 126.3 20.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.573 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.565 ' HB3' ' CD1' ' A' ' 33' ' ' TYR . 85.7 p -115.31 157.37 23.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.049 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.726 HG22 HG23 ' A' ' 32' ' ' VAL . 30.7 m -130.01 124.89 59.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -115.1 137.1 52.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.215 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.803 ' ND2' ' H ' ' A' ' 28' ' ' ARG . 1.1 p30 -102.94 -59.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.803 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -130.8 -74.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.492 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 1.4 pm0 -124.78 10.25 8.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.751 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.3 OUTLIER -120.65 125.17 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.18 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -117.53 104.19 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.022 HG12 HG12 ' A' ' 84' ' ' VAL . 16.4 m -91.9 125.14 44.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.796 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 1.4 m-85 -97.56 128.73 44.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.95 HG21 ' HB1' ' A' ' 109' ' ' ALA . 21.6 p -143.1 141.63 31.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.346 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.403 ' SG ' ' HA2' ' A' ' 22' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.747 ' HA ' ' HB2' ' A' ' 79' ' ' ALA . 22.3 m-70 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.62 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 20.7 p90 -55.13 112.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.56 ' CD ' HD11 ' A' ' 9' ' ' ILE . 23.9 mtt180 -90.39 -176.02 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.18 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -157.44 113.38 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.99 -60.4 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.538 HG23 ' HD3' ' A' ' 63' ' ' LYS . 19.9 mt 70.38 109.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 1.013 ' CB ' HG23 ' A' ' 85' ' ' ILE . 5.7 m -139.38 160.39 39.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.661 HG13 HD13 ' A' ' 53' ' ' LEU . 75.7 t -150.39 166.84 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.533 ' N ' HG12 ' A' ' 49' ' ' VAL . 2.3 t -94.72 165.44 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -103.54 2.77 33.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' LEU . 2.7 mttt -110.53 -14.66 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.661 HD13 HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -37.12 -73.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.98 -111.19 0.42 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.467 ' N ' HD12 ' A' ' 58' ' ' LEU . 1.5 t30 -99.03 177.42 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.51 -25.27 65.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 p -50.86 -41.0 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.89 -44.22 61.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.436 ' CZ ' ' HB ' ' A' ' 49' ' ' VAL . 14.3 ttm-85 -66.72 -9.87 40.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.6 m-20 -97.2 -34.76 10.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 4.0 mttp -76.81 -37.12 56.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.035 HG21 ' HB2' ' A' ' 86' ' ' ALA . 88.4 mt -72.3 -26.66 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.568 ' CE ' HG22 ' A' ' 62' ' ' ILE . 11.0 mmpt? -96.89 -18.32 19.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 8.4 ttt180 -81.94 -66.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.762 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -47.26 -41.37 18.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.874 ' CD1' HD11 ' A' ' 102' ' ' LEU . 4.9 tp -67.05 -33.36 62.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -80.97 -2.13 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.75 -16.48 14.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -100.53 -27.33 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 1.18 ' CE2' HD21 ' A' ' 45' ' ' LEU . 1.4 m-85 -78.41 -40.44 35.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -66.44 -42.16 88.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.599 HG13 ' CD2' ' A' ' 73' ' ' HIS . 7.7 p -69.93 -51.86 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.599 ' CD2' HG13 ' A' ' 72' ' ' VAL . 96.1 m-70 -84.3 13.37 5.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.576 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' PHE . 33.5 ttpt -52.08 -36.57 51.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.41 16.89 24.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.509 ' N ' ' CD2' ' A' ' 76' ' ' HIS . 1.2 m170 -120.46 4.96 10.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.602 ' C ' HD13 ' A' ' 78' ' ' LEU . 1.3 mp -113.44 156.1 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.966 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -111.61 176.7 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.747 ' HB2' ' HA ' ' A' ' 42' ' ' HIS . . . -78.74 131.62 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 82' ' ' ILE . 1.2 mtpp 163.97 118.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -34.92 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.67 ' CG1' HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -111.06 124.54 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.771 HG22 HD11 ' A' ' 85' ' ' ILE . 23.0 mt -145.29 111.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.022 HG12 HG12 ' A' ' 32' ' ' VAL . 2.6 m -102.49 128.31 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.013 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -111.81 158.02 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.035 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -89.44 40.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER 37.59 -91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 86' ' ' ALA . 1.2 mt-30 -166.59 -59.04 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.01 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -49.42 -21.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.532 ' HA ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -55.55 -20.63 13.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -98.14 15.59 23.85 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.492 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 7.0 ttp -106.97 147.87 29.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.468 ' N ' ' HG2' ' A' ' 93' ' ' MET . 1.0 OUTLIER -115.51 150.75 36.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.904 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.2 m -47.41 -21.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.3 tm? -69.48 -38.59 77.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 94' ' ' THR . 23.3 mt-30 -80.45 -36.83 33.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 95' ' ' THR . 72.4 mt -48.46 -33.75 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -38.06 44.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -70.24 -43.31 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.433 ' O ' HG12 ' A' ' 105' ' ' VAL . 24.4 m -63.66 -49.72 72.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.874 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.2 OUTLIER -53.96 -31.25 50.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.86 -0.45 16.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.889 ' NE2' HD11 ' A' ' 108' ' ' ILE . 1.7 t-160 -130.68 -74.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.599 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.801 HG22 HG22 ' A' ' 32' ' ' VAL . 9.7 p -35.51 -54.96 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.99 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.46 -41.83 88.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.621 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 8.6 tttt -48.38 -24.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.602 1.189 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.889 HD11 ' NE2' ' A' ' 104' ' ' HIS . 13.8 mt -87.66 -41.2 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.95 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -58.0 -38.97 77.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 74.0 34.67 0.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.99 HG22 HD13 ' A' ' 106' ' ' LEU . 28.5 m -90.66 7.28 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.792 ' CD1' HD11 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -137.06 119.81 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.72 ' N ' HD11 ' A' ' 78' ' ' LEU . 42.7 m-80 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.924 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 17.8 m-85 . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.44 0.162 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -76.55 138.84 40.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.831 HG23 ' HB2' ' A' ' 14' ' ' ASP . 7.2 mm -68.4 88.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -71.89 -45.4 61.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -89.54 136.28 33.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -64.44 -37.24 86.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.99 -50.19 28.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.831 ' HB2' HG23 ' A' ' 9' ' ' ILE . 67.6 m-20 -51.84 -32.99 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.746 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.54 -41.0 16.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 111.037 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -66.26 -43.78 85.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -46.56 -36.7 7.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.532 HD12 HG13 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -75.88 -51.33 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.32 -14.03 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.15 -89.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' GLY . 14.0 mttt -126.87 14.96 7.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -51.13 -174.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -130.42 113.66 14.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.631 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.592 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 25.3 p -111.4 151.08 28.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.969 HG11 HG22 ' A' ' 108' ' ' ILE . 17.9 m -132.8 126.35 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -111.84 139.34 47.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.391 1.057 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.493 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 37.1 p-10 -120.14 -144.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.493 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -33.16 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.466 ' HG3' ' C ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -138.88 36.71 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.716 ' HB3' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -133.31 149.66 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.573 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -138.45 106.56 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.772 HG12 HG12 ' A' ' 84' ' ' VAL . 21.8 m -102.71 123.13 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.592 ' CD1' ' HB2' ' A' ' 24' ' ' SER . 3.2 m-85 -106.16 122.25 45.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.82 HG21 ' HB1' ' A' ' 109' ' ' ALA . 60.9 p -132.53 161.39 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.474 ' HB3' HG23 ' A' ' 18' ' ' ILE . 13.5 p . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 108.268 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.782 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 43.9 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.616 -0.512 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.924 ' CE2' ' CE1' ' A' ' 7' ' ' TYR . 25.4 p90 47.92 153.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.505 ' HB3' HD13 ' A' ' 9' ' ' ILE . 40.8 mtm180 -143.34 99.05 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.378 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.854 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.64 137.74 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.474 ' C ' HD12 ' A' ' 47' ' ' ILE . . . -108.65 178.45 21.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.858 HG23 HG21 ' A' ' 66' ' ' ILE . 3.3 mp -139.56 109.9 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.909 ' CB ' HG23 ' A' ' 85' ' ' ILE . 40.4 m -126.31 161.06 28.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.929 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.672 HG13 HD13 ' A' ' 53' ' ' LEU . 77.7 t -146.59 167.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.533 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -93.45 170.49 9.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.77 -2.59 19.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -103.95 -14.76 15.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.68 HD21 HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.15 -78.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.613 1.196 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 58' ' ' LEU . . . 177.15 -109.09 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.487 ' N ' HD12 ' A' ' 58' ' ' LEU . 1.4 t30 -100.03 176.8 5.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.99 -24.34 66.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.94 -41.06 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.494 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 2.9 mt -69.9 -44.63 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.654 ' HG3' HG21 ' A' ' 49' ' ' VAL . 37.5 ttt180 -68.49 -8.26 39.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 1.4 m-20 -98.6 -29.02 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -34.75 22.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.087 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.857 HG21 ' HB2' ' A' ' 86' ' ' ALA . 85.3 mt -74.39 -39.72 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HG2' HG22 ' A' ' 47' ' ' ILE . 24.8 mttt -70.37 -58.64 3.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 12.4 ptp180 -49.15 -41.43 36.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.639 ' HB1' HG21 ' A' ' 98' ' ' ILE . . . -74.67 -28.11 60.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.858 HG21 HG23 ' A' ' 47' ' ' ILE . 6.4 mt -74.99 -33.13 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -96.85 10.8 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -121.05 -2.49 9.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.726 ' CB ' HD13 ' A' ' 102' ' ' LEU . 20.3 t-20 -96.54 -63.69 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.608 ' CE2' HG12 ' A' ' 77' ' ' ILE . 1.5 m-85 -57.63 -22.61 46.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -52.68 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.609 1.193 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 69' ' ' ASN . 2.5 m -75.01 -42.55 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.595 ' HA ' ' CG ' ' A' ' 76' ' ' HIS . 87.9 m-70 -78.56 6.57 8.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 70' ' ' PHE . 15.9 ttpt -47.5 -55.18 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.06 -1.05 18.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.596 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.3 OUTLIER -103.15 -10.57 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.649 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.608 HG12 ' CE2' ' A' ' 70' ' ' PHE . 1.5 mp -98.67 152.2 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.834 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -120.02 148.49 43.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.075 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.497 ' HA ' ' N ' ' A' ' 43' ' ' PHE . . . -45.16 109.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -178.22 108.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -38.69 123.72 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.905 HD11 HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -140.61 156.73 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.824 ' N ' HD13 ' A' ' 82' ' ' ILE . 27.2 mt -154.4 107.11 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.905 HG13 HD11 ' A' ' 82' ' ' ILE . 10.3 m -90.03 110.08 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.909 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -109.86 163.26 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.857 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -115.53 107.19 14.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.619 1.2 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.696 ' CB ' ' HD2' ' A' ' 89' ' ' PRO . 5.4 mtp180 -53.92 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.672 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -78.63 -41.09 1.78 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.696 ' HD2' ' CB ' ' A' ' 87' ' ' ARG . 18.5 Cg_endo -74.9 4.71 4.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.752 . . . . 0.0 111.016 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.458 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -73.92 -11.82 60.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.93 -34.62 66.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -80.39 2.9 23.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.429 ' HB2' ' CD ' ' A' ' 29' ' ' GLN . 2.9 ttp -106.28 130.88 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' GLN . 5.0 p -99.94 153.38 19.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.424 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.2 m -46.23 -23.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.412 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -68.1 -41.25 82.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' THR . 25.2 mt-30 -80.35 -16.34 54.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.639 HG21 ' HB1' ' A' ' 65' ' ' ALA . 8.9 mt -65.34 -56.63 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -58.56 -25.99 63.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -90.4 -16.53 28.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' GLN . 17.3 m -89.8 -46.63 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.726 HD13 ' CB ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -53.38 -25.95 17.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.84 -0.01 14.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 110.247 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 1.3 t-160 -127.35 -75.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.733 HG22 HG22 ' A' ' 32' ' ' VAL . 4.6 p -38.78 -52.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.983 HD11 ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -67.79 -43.53 79.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -54.02 -22.01 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.969 HG22 HG11 ' A' ' 25' ' ' VAL . 2.6 mt -88.32 -33.84 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.82 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -55.18 -37.46 67.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.1 OUTLIER 94.1 19.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.913 HG22 HD13 ' A' ' 106' ' ' LEU . 2.8 m -97.27 29.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.983 ' CD2' HD11 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -132.02 113.42 13.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.834 ' N ' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.653 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 44.1 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.49 0.186 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.7 ptt180 -117.21 158.25 24.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.644 HD12 ' CG ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -57.17 111.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -40.93 72.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.588 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -155.39 163.16 40.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -45.13 -47.58 12.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.87 -47.75 21.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 1.6 m-20 -59.76 -30.6 68.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.876 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -82.07 -35.98 28.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' TYR . 1.3 mt-30 -67.16 -53.62 28.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 110.263 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -40.45 -28.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 1.028 HD12 HD11 ' A' ' 83' ' ' ILE . 1.4 mt -84.31 -48.5 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLN . 5.8 m-85 -62.96 -10.89 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -87.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -34.74 77.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 18' ' ' ILE . . . -61.42 143.96 48.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.525 ' CE1' ' OG1' ' A' ' 34' ' ' THR . 50.8 p-80 -94.73 -154.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 0.73 . . . . 0.0 109.568 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.632 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 78.7 p -174.58 146.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.858 HG11 HG22 ' A' ' 108' ' ' ILE . 21.3 m -121.54 -141.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 159.64 136.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.675 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 6.9 p-10 -96.24 -78.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.675 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 28.2 mmt180 -123.66 -55.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 1.4 pm0 -132.6 -0.7 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -116.85 148.1 41.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.939 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -134.61 138.81 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.992 HG12 HG12 ' A' ' 84' ' ' VAL . 15.6 m -120.22 120.69 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.632 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 5.7 m-85 -95.81 117.65 30.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.924 HG21 ' HB1' ' A' ' 109' ' ' ALA . 70.4 p -125.56 158.64 34.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.7 p . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 108.28 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.653 ' CZ ' ' CE1' ' A' ' 7' ' ' TYR . 11.2 p90 -102.21 94.59 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.69 ' O ' HG23 ' A' ' 82' ' ' ILE . 2.1 mtm-85 -54.75 137.1 45.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.02 HD11 ' CD2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -118.12 90.03 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.632 ' O ' HG23 ' A' ' 83' ' ' ILE . . . -112.59 133.01 11.09 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.788 HG21 ' HB2' ' A' ' 63' ' ' LYS . 4.8 mp -113.86 126.86 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.404 0.708 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.901 ' CB ' HG23 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -115.85 154.42 29.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.664 HG21 ' HB2' ' A' ' 59' ' ' ARG . 45.8 t -138.74 151.54 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -93.55 165.33 12.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.934 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -95.16 0.44 54.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.04 -19.91 14.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.959 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -41.66 -73.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.622 ' CA ' HD21 ' A' ' 58' ' ' LEU . . . 169.52 -110.74 0.39 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 -167.2 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -95.43 -22.08 17.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.66 -30.44 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 1.055 HD12 ' N ' ' A' ' 59' ' ' ARG . 1.2 pp -80.0 -33.54 39.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 1.055 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -75.06 -11.31 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.529 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -88.69 -36.3 16.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -82.07 -12.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.032 HD11 ' O ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -90.76 -33.98 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.788 ' HB2' HG21 ' A' ' 47' ' ' ILE . 7.4 tmtt? -89.58 -50.79 5.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.535 ' HA ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -58.23 -17.48 19.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.731 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -79.26 -51.04 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.935 HG12 HD21 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -65.5 -35.51 75.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -73.26 -7.16 50.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.24 -43.18 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.503 ' ND2' ' CD2' ' A' ' 73' ' ' HIS . 1.2 t30 -71.09 -57.56 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 1.02 ' CD2' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -51.55 -16.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 110.962 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 67' ' ' ARG . 3.6 tptt -79.18 -29.86 43.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -95.44 -41.24 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.587 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 77.5 m-70 -81.71 6.85 14.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.11 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -49.01 -38.7 24.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.618 1.199 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.7 m -80.34 -18.48 48.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.587 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 1.6 m170 -87.92 -20.55 25.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.595 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 73' ' ' HIS . 1.3 mp -79.82 164.07 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.759 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -146.29 152.67 39.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.596 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -38.92 131.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.596 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 6.2 mttp 155.19 104.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -41.66 130.27 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.872 ' HB ' HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -143.1 149.91 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 1.028 HD11 HD12 ' A' ' 18' ' ' ILE . 5.1 mt -153.36 116.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.055 ' C ' HD13 ' A' ' 85' ' ' ILE . 16.5 m -94.72 130.87 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.055 HD13 ' C ' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -119.77 153.71 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -106.49 106.14 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.54 ' CB ' ' HD2' ' A' ' 89' ' ' PRO . 10.6 mtm180 -53.92 -168.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 1.9 mt-30 -75.12 -46.78 4.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.3 Cg_endo -75.06 6.6 3.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.566 1.824 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.032 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -89.8 -3.18 58.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.591 ' HA ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -75.48 -34.32 60.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -94.49 22.27 6.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.225 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.518 ' CE ' HG12 ' A' ' 98' ' ' ILE . 4.8 ttp -97.52 156.74 16.36 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.543 1.152 . . . . 0.0 111.068 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.444 ' N ' ' HG2' ' A' ' 93' ' ' MET . 0.8 OUTLIER -118.02 150.12 39.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.795 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.6 m -47.47 -22.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.66 -40.49 72.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 93' ' ' MET . 24.8 mt-30 -83.06 -10.67 58.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 95' ' ' THR . 24.4 mt -84.96 -44.01 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.55 ' NE2' HG22 ' A' ' 95' ' ' THR . 1.4 pt20 -75.17 -10.1 59.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -98.82 -12.15 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 105' ' ' VAL . 58.3 m -88.25 -45.41 10.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.935 HD21 HG12 ' A' ' 66' ' ' ILE . 1.4 mp -47.89 -44.46 29.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 107' ' ' LYS . 10.6 pt-20 -52.25 -22.63 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.889 ' NE2' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -115.73 -74.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.63 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.587 ' HB ' ' CG ' ' A' ' 27' ' ' ASN . 3.7 p -38.76 -52.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.864 HD21 ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -63.78 -43.48 96.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 104' ' ' HIS . 1.2 pttt -49.32 -33.7 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.889 HD11 ' NE2' ' A' ' 104' ' ' HIS . 18.6 mt -77.48 -33.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.924 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -52.48 -32.92 42.27 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.2 OUTLIER 84.82 17.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.872 HG11 ' HB ' ' A' ' 82' ' ' ILE . 5.4 m -95.03 27.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.864 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -124.87 104.82 8.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.667 ' H ' HD12 ' A' ' 78' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.55 ' CE2' ' CE1' ' A' ' 43' ' ' PHE . 9.5 m-85 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.47 0.176 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 10' ' ' LYS . 5.6 mtt180 -73.48 134.27 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.713 HG21 ' CG ' ' A' ' 15' ' ' PHE . 2.2 mm -49.81 93.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -81.65 -35.48 29.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.606 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -98.03 162.77 13.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' PHE . 6.6 m-20 -76.11 -50.78 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . . . -47.19 -51.95 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.493 ' HB3' HG23 ' A' ' 9' ' ' ILE . 8.7 m-20 -49.78 -26.3 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.735 ' HE1' HG21 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -94.59 -39.81 10.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.923 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 17' ' ' ARG . 1.9 pp0? -65.63 -34.37 78.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -60.97 -31.63 71.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.622 HG13 HD11 ' A' ' 83' ' ' ILE . 5.8 mm -74.33 -65.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -52.58 -18.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 10.68 9.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -47.63 159.97 0.48 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.449 ' NE2' ' CG1' ' A' ' 25' ' ' VAL . 7.3 t60 -112.11 103.05 11.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -83.23 152.18 25.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG22 HG23 ' A' ' 32' ' ' VAL . 24.6 m -142.72 125.91 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -121.22 134.45 55.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.836 ' ND2' ' H ' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -94.94 -58.16 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.836 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 5.8 mtp85 -128.37 -75.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.532 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -119.76 -4.62 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.881 ' HB3' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -100.42 155.6 17.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -145.81 105.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.997 HG12 HG12 ' A' ' 84' ' ' VAL . 34.0 m -98.66 134.29 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 24' ' ' SER . 18.4 m-85 -103.92 131.97 50.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.991 HG21 ' HB1' ' A' ' 109' ' ' ALA . 66.6 p -147.63 151.69 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 108.347 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 41.0 p90 -79.37 109.06 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.629 ' O ' HG23 ' A' ' 82' ' ' ILE . 40.9 mtm180 -81.68 108.82 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.625 HD21 ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -80.84 108.69 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 1.032 ' O ' HD13 ' A' ' 47' ' ' ILE . . . -115.27 147.0 18.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 1.032 HD13 ' O ' ' A' ' 46' ' ' GLY . 0.9 OUTLIER -139.25 137.77 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.996 ' CB ' HG23 ' A' ' 85' ' ' ILE . 1.2 m -142.4 -172.94 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 48' ' ' SER . 3.0 t -162.96 164.18 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.51 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 28.4 t -98.25 162.66 13.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.058 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.1 2.09 48.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -15.66 15.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.747 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -45.11 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.05 -109.4 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.448 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 t30 -81.03 -169.95 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 0.729 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . -106.75 -21.01 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -67.81 -32.95 58.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' A' ' 91' ' ' LYS . 1.4 pt? -81.47 -44.41 17.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.533 ' HB2' HG11 ' A' ' 49' ' ' VAL . 25.6 ptt180 -65.36 -11.87 46.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -84.56 -30.35 25.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -75.58 -31.57 60.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.889 HG21 ' HB2' ' A' ' 86' ' ' ALA . 65.4 mt -70.74 -26.36 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.711 ' HG2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -99.24 -38.7 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' ARG . 11.9 ttt180 -57.39 -67.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -39.67 -42.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.861 HG13 HG21 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -59.66 -47.71 90.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -70.5 -4.72 24.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -117.8 -2.46 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.759 ' OD1' HD22 ' A' ' 102' ' ' LEU . 16.4 t-20 -116.46 -43.91 2.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.625 ' CD2' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -77.01 1.13 18.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 111.055 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -82.51 -37.7 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' NE2' ' A' ' 76' ' ' HIS . 3.0 m -82.49 -40.48 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.661 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 57.5 m-70 -68.73 -4.38 15.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.635 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.486 ' HA ' HG13 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -66.19 -17.84 64.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.616 ' C ' ' CD2' ' A' ' 76' ' ' HIS . 5.7 t -94.21 21.91 6.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.947 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.699 ' CD2' ' N ' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -155.3 28.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.59 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.642 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -114.12 161.0 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.812 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -129.37 173.6 10.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -63.28 122.5 16.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.327 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 8.2 mttt 166.08 108.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 2.1 p30 -39.34 127.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -133.01 138.61 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.735 HG21 ' HE1' ' A' ' 15' ' ' PHE . 2.2 mt -152.88 116.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.065 ' C ' HD13 ' A' ' 85' ' ' ILE . 3.5 m -97.56 121.95 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.065 HD13 ' C ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -115.86 158.79 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.889 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -95.32 102.28 14.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.517 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 1.5 mmm180 -35.1 -70.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.626 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 168.85 -43.44 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.05 2.98 6.05 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.667 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -74.75 -25.44 59.09 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.936 ' HA ' HD12 ' A' ' 58' ' ' LEU . 23.2 pttt -40.59 -38.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -105.49 56.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.667 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 3.8 ttp -135.09 143.65 46.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.467 ' N ' ' HG2' ' A' ' 93' ' ' MET . 2.5 p -100.07 148.14 24.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.784 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.3 m -48.94 -23.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.4 -39.53 94.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -79.48 -16.74 55.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 95' ' ' THR . 92.6 mt -72.56 -63.86 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.77 -15.92 14.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -85.91 -35.86 20.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -80.65 -32.89 36.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.759 HD22 ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -53.62 -29.7 39.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.11 0.64 15.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.538 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -130.06 -73.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.881 HG21 ' HB3' ' A' ' 30' ' ' PHE . 1.3 p -39.72 -50.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.975 HD21 ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -72.89 -40.46 65.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -27.33 20.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.514 HG22 HG11 ' A' ' 25' ' ' VAL . 5.0 mt -83.77 -41.69 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.991 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -42.22 -31.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 tttt 78.45 35.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.691 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 33.9 m -101.39 4.37 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.975 ' CZ ' HD21 ' A' ' 106' ' ' LEU . 6.4 m-30 -116.24 122.87 46.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.675 ' N ' HD11 ' A' ' 78' ' ' LEU . 29.4 m-80 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.584 ' CE1' ' CZ ' ' A' ' 43' ' ' PHE . 45.2 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.496 0.189 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.7 156.33 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.746 HG22 ' N ' ' A' ' 10' ' ' LYS . 10.5 mt -94.16 -109.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.588 1.18 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.746 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 94.06 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 10.9 tttp -79.14 130.32 35.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.401 1.063 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' GLN . 14.3 t30 -57.27 -56.08 26.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.64 62.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.607 ' HB3' HG23 ' A' ' 9' ' ' ILE . 56.9 t0 -57.16 -17.9 13.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.63 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -102.2 -33.35 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -74.05 -37.14 64.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.6 -27.57 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.599 HD12 HD11 ' A' ' 83' ' ' ILE . 1.1 mt -89.72 -47.75 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -66.84 -9.52 38.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -61.03 -81.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 22' ' ' GLY . 1.3 mttp -132.81 14.45 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -47.73 176.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.418 1.074 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -115.73 107.82 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.614 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.669 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 82.5 p -95.18 157.43 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.713 ' CG2' HG23 ' A' ' 32' ' ' VAL . 28.1 m -144.42 124.78 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.369 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.29 138.94 49.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' CG ' ' ND1' ' A' ' 104' ' ' HIS . 6.5 t30 -96.61 -90.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 3.7 mtt180 -113.14 -59.4 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 90' ' ' ALA . 8.1 mt-30 -133.43 16.43 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.71 ' HZ ' HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -136.12 138.7 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.95 135.96 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.963 HG12 HG12 ' A' ' 84' ' ' VAL . 18.1 m -119.8 118.34 56.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.669 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 4.5 m-85 -98.89 119.34 37.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.42 1.075 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.807 HG21 ' HB1' ' A' ' 109' ' ' ALA . 4.4 p -143.99 168.84 19.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.416 ' C ' ' OD2' ' A' ' 81' ' ' ASP . 1.7 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 108.264 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.42 ' N ' ' HB1' ' A' ' 79' ' ' ALA . 1.8 p-80 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.935 ' CE2' HG21 ' A' ' 77' ' ' ILE . 17.9 p90 -101.26 65.64 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.514 ' CG ' HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -54.63 138.28 41.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.085 HD11 ' CD1' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -99.63 134.23 42.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.622 ' O ' HG23 ' A' ' 83' ' ' ILE . . . -115.75 98.22 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 66' ' ' ILE . 28.1 mm -77.22 115.22 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.877 ' CB ' HG23 ' A' ' 85' ' ' ILE . 5.2 m -126.77 164.34 21.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 48' ' ' SER . 8.8 t -161.81 147.81 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.53 ' H ' HD12 ' A' ' 53' ' ' LEU . 30.9 t -94.72 162.08 13.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.28 -0.58 56.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.39 -19.08 22.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 88' ' ' GLN . 2.1 mt -50.84 -77.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.535 ' HA3' ' CD1' ' A' ' 58' ' ' LEU . . . -176.93 -115.9 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.79 HD22 HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -97.9 -173.0 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.79 -23.1 42.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.79 HG12 HD22 ' A' ' 55' ' ' ASN . 1.7 p -62.09 -28.23 44.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.968 HD22 ' O ' ' A' ' 91' ' ' LYS . 12.9 mt -78.74 -39.97 34.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.709 ' HG2' HG21 ' A' ' 49' ' ' VAL . 5.1 tmm_? -72.0 -4.61 29.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 110.211 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -99.13 -22.89 15.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.487 ' HA ' ' CD ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -96.13 -27.78 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.974 HG21 ' HB2' ' A' ' 86' ' ' ALA . 78.0 mt -77.88 -29.46 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.511 ' CG ' ' N ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -84.8 -56.98 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.511 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 2.3 ptm85 -43.74 -44.98 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.604 ' CB ' HG21 ' A' ' 98' ' ' ILE . . . -50.31 -35.32 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.878 HD13 ' CG2' ' A' ' 84' ' ' VAL . 65.1 mt -75.94 -41.85 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -65.79 -11.17 43.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.463 ' OE2' ' CG2' ' A' ' 95' ' ' THR . 1.8 pt-20 -121.22 -3.41 9.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.8 ' OD1' HD13 ' A' ' 102' ' ' LEU . 15.9 t-20 -111.34 -42.0 4.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 1.085 ' CD1' HD11 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -86.7 3.99 42.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.34 2.61 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.637 ' CG1' ' O ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -104.06 -52.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.695 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 8.9 p80 -85.26 10.01 13.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.635 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 5.4 tttp -68.17 -7.44 30.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -86.48 -39.68 16.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.6 ' CE1' ' CB ' ' A' ' 73' ' ' HIS . 3.0 p-80 -99.65 14.17 31.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.613 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.935 HG21 ' CE2' ' A' ' 43' ' ' PHE . 1.3 tp -75.29 158.16 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.884 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.3 143.74 51.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -60.65 134.66 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.0 OUTLIER 162.24 118.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.485 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -33.55 111.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.362 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.621 HG13 HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -127.04 151.13 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.63 HD13 ' CE1' ' A' ' 15' ' ' PHE . 29.8 mt -155.2 129.98 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.963 HG12 HG12 ' A' ' 32' ' ' VAL . 15.9 m -116.05 109.36 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.877 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -113.93 159.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.974 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -92.85 126.34 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.481 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 9.1 tpt180 -42.84 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.569 ' O ' HD23 ' A' ' 53' ' ' LEU . 2.5 mt-30 -172.76 -57.09 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.0 Cg_endo -75.12 5.63 3.92 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.554 1.818 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.936 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -90.03 22.18 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.968 ' O ' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -73.8 -37.77 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.244 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 5.8 m-20 -99.18 44.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.936 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -95.86 -162.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.522 ' O ' HD12 ' A' ' 98' ' ' ILE . 24.3 p -152.49 148.54 27.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.463 ' CG2' ' OE2' ' A' ' 68' ' ' GLU . 1.3 m -44.87 -23.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -77.58 -47.33 19.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 94' ' ' THR . 1.4 mm-40 -55.14 -50.99 67.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.757 ' CG2' HD12 ' A' ' 102' ' ' LEU . 3.5 mp -48.05 -37.69 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -70.42 -36.93 74.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -72.45 -14.33 61.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -101.17 -49.56 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.8 HD13 ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -53.5 -27.92 28.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -0.23 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.921 ' NE2' HD11 ' A' ' 108' ' ' ILE . 1.1 t-160 -132.7 -71.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.613 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 32' ' ' VAL . 9.9 p -39.27 -52.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 1.069 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -64.57 -43.39 94.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.688 ' HA ' ' CZ ' ' A' ' 112' ' ' PHE . 9.0 tttt -48.57 -26.41 2.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.921 HD11 ' NE2' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -83.76 -34.44 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.807 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -64.45 -36.55 84.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 1.182 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.65 52.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.069 HG22 HD13 ' A' ' 106' ' ' LEU . 21.2 m -107.94 -8.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.915 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -112.27 106.17 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.71 ' CG ' HD12 ' A' ' 78' ' ' LEU . 42.5 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.515 ' CE2' ' HB3' ' A' ' 42' ' ' HIS . 4.2 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.563 0.22 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -94.33 165.19 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.689 HG21 ' CE1' ' A' ' 15' ' ' PHE . 14.0 mm -114.88 113.11 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -43.04 -26.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 88.89 -13.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.8 t30 -122.0 -90.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 12' ' ' ASN . . . -48.92 -52.03 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 3.8 m-20 -56.43 -20.21 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.689 ' CE1' HG21 ' A' ' 9' ' ' ILE . 1.5 m-85 -98.17 -30.69 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.4 pp0? -77.14 -37.01 54.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -65.52 -11.47 43.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 33' ' ' TYR . 2.8 mm -91.92 -55.41 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.782 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 7.2 m-85 -61.91 -16.01 47.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -131.34 14.81 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.379 1.05 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.15 169.92 42.34 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.522 1.138 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.89 105.42 11.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.727 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.673 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 79.1 p -86.08 156.59 20.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.587 ' CG2' HG23 ' A' ' 32' ' ' VAL . 34.7 m -142.18 125.03 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.67 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -120.72 137.87 54.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.595 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 1.2 p-10 -87.12 -88.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.482 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 3.1 mtt180 -122.55 -43.58 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.929 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 1.2 pp0? -144.75 36.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.679 ' HE2' HD11 ' A' ' 66' ' ' ILE . 15.6 t80 -161.64 139.11 8.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.771 HG23 HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -127.99 144.1 38.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.838 HG12 HG12 ' A' ' 84' ' ' VAL . 15.1 m -131.75 105.04 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.782 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 5.7 m-85 -80.79 124.35 28.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.91 HG21 ' HB1' ' A' ' 109' ' ' ALA . 40.3 p -141.97 150.05 40.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.463 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 34' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 108.273 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.556 ' N ' ' HB1' ' A' ' 79' ' ' ALA . 6.6 m-70 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 49.7 p90 -109.13 118.02 35.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -110.55 78.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.91 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -83.38 119.85 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.536 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -102.55 -174.24 27.09 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 63' ' ' LYS . 15.7 mt -135.77 113.74 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.908 ' HB3' HG23 ' A' ' 85' ' ' ILE . 3.2 m -133.01 161.16 35.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.783 HG12 HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -123.08 -158.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.453 ' HB3' HD12 ' A' ' 53' ' ' LEU . 15.3 t -106.89 174.57 5.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.938 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -1.66 55.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -110.77 -20.49 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.783 HD13 HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -79.81 -104.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.489 ' N ' HD21 ' A' ' 58' ' ' LEU . . . 49.97 98.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.642 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 2.2 t30 -171.0 -178.87 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.226 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.439 ' O ' ' ND2' ' A' ' 60' ' ' ASN . . . -101.69 -21.83 14.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.415 HG12 HD22 ' A' ' 55' ' ' ASN . 0.7 OUTLIER -85.51 -32.94 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 59' ' ' ARG . 3.9 pp -83.85 -44.47 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.825 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.6 -3.5 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.6 m-20 -100.94 -14.9 17.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.97 -8.1 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.841 HD11 ' O ' ' A' ' 90' ' ' ALA . 58.0 mt -107.36 -25.66 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HE2' HG21 ' A' ' 47' ' ' ILE . 10.0 mtpt -102.19 -30.99 10.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 9.1 ttt180 -62.07 -70.47 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB3' HG12 ' A' ' 98' ' ' ILE . . . -54.73 -32.11 59.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.822 HD13 ' O ' ' A' ' 62' ' ' ILE . 1.6 mp -66.28 -41.05 88.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.19 1.76 34.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 10.1 tt0 -119.84 -0.86 10.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.563 ' O ' HG22 ' A' ' 72' ' ' VAL . 10.0 t-20 -98.16 -60.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.621 ' CE2' HG12 ' A' ' 77' ' ' ILE . 1.5 m-85 -68.47 -16.01 63.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -44.43 76.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 69' ' ' ASN . 3.7 m -77.9 -42.06 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.646 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 94.6 m-70 -80.01 6.52 11.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 43' ' ' PHE . 14.9 ttmt -50.48 -45.22 56.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.45 8.95 10.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.646 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 0.9 OUTLIER -109.99 -36.54 5.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.666 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.628 ' C ' HD13 ' A' ' 78' ' ' LEU . 1.5 mp -72.28 143.92 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.968 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -108.54 171.26 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.556 ' HB1' ' N ' ' A' ' 42' ' ' HIS . . . -59.29 115.09 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 1.1 tttp 177.2 113.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -47.22 103.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.883 HD13 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -110.76 159.36 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.357 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.883 ' N ' HD13 ' A' ' 82' ' ' ILE . 3.0 mt -160.74 112.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.838 HG12 HG12 ' A' ' 32' ' ' VAL . 10.8 m -94.17 118.61 40.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.908 HG23 ' HB3' ' A' ' 48' ' ' SER . 0.6 OUTLIER -119.32 150.68 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 49' ' ' VAL . . . -88.15 129.59 35.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.646 1.216 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.512 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -53.57 -69.13 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.215 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.521 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 170.29 -50.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.22 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.5 Cg_endo -74.94 2.07 7.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.929 ' HB2' ' HB2' ' A' ' 29' ' ' GLN . . . -89.63 43.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.531 ' HA ' HD21 ' A' ' 53' ' ' LEU . 60.2 tttt -90.72 -46.88 7.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -96.63 29.48 2.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.898 ' HE3' ' HB1' ' A' ' 90' ' ' ALA . 2.7 ptp -63.18 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.779 ' O ' HD12 ' A' ' 98' ' ' ILE . 27.9 p -156.8 147.19 21.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.747 ' HA ' HD13 ' A' ' 98' ' ' ILE . 1.4 m -45.53 -20.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.976 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -83.51 -48.68 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.461 ' CG ' ' OG1' ' A' ' 94' ' ' THR . 3.8 mm-40 -46.05 -37.26 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 94' ' ' THR . 4.7 mp -57.54 -69.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 96' ' ' LEU . 4.8 pt20 -59.02 -16.19 17.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.408 ' ND2' HD11 ' A' ' 96' ' ' LEU . 1.3 t-20 -80.41 -31.1 37.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 104' ' ' HIS . 11.9 p -91.18 -54.81 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.045 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.614 ' HB3' HD23 ' A' ' 106' ' ' LEU . 0.4 OUTLIER -47.11 -34.14 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -1.78 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.255 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.809 ' NE2' HD11 ' A' ' 108' ' ' ILE . 1.9 t-160 -136.91 -74.29 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.693 HG22 HG22 ' A' ' 32' ' ' VAL . 4.4 p -42.04 -41.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.775 HD21 ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -76.05 -41.08 51.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -52.35 -31.54 33.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.809 HD11 ' NE2' ' A' ' 104' ' ' HIS . 24.7 mt -82.15 -42.73 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.91 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -37.74 -31.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 32.2 tttt 86.79 15.23 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.22 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 7.2 m -91.72 29.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.775 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -136.88 123.05 20.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.981 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.673 HD22 HD12 ' A' ' 78' ' ' LEU . 10.9 p30 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 42' ' ' HIS . 4.1 m-85 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.509 0.195 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.38 124.57 51.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.775 HG23 ' HB3' ' A' ' 14' ' ' ASP . 31.1 mt -81.6 98.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -112.81 5.89 17.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.26 149.6 23.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' GLN . 71.9 m-20 -69.65 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.33 -48.15 25.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.775 ' HB3' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -54.93 -32.19 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -85.97 -34.79 20.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.4 OUTLIER -72.33 -47.8 46.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.15 -25.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.531 HD11 ' OD2' ' A' ' 81' ' ' ASP . 4.8 mm -87.07 -49.29 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.752 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 5.2 m-85 -71.85 -2.33 17.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 111.056 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -103.91 -86.6 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -80.79 -25.22 38.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 18' ' ' ILE . . . -59.45 167.23 8.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.56 1.163 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -130.89 108.05 9.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.583 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.598 ' HB3' ' CD2' ' A' ' 33' ' ' TYR . 52.4 p -93.02 155.98 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.626 HG11 HG22 ' A' ' 108' ' ' ILE . 27.7 m -136.42 135.14 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HA ' HG23 ' A' ' 105' ' ' VAL . . . -121.95 138.3 54.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.646 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 4.6 p-10 -90.0 -82.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.646 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 5.9 mmt180 -123.1 -52.12 1.87 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -131.43 6.01 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.643 ' HB3' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -113.98 153.02 30.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.918 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -146.84 110.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.062 HG12 HG12 ' A' ' 84' ' ' VAL . 15.9 m -104.2 120.48 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.752 ' CD2' ' CD1' ' A' ' 19' ' ' TYR . 8.9 m-85 -98.5 110.55 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.629 HG22 ' HA ' ' A' ' 82' ' ' ILE . 73.1 p -129.67 170.82 13.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.339 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.607 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 54.8 p90 -64.99 113.69 4.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 80' ' ' LYS . 10.8 mtm180 -72.53 95.03 1.75 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.879 HD21 ' CD2' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -80.15 97.28 6.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.25 144.44 15.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.1 mt -132.0 133.53 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.759 . . . . 0.0 109.21 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.998 ' CB ' HG23 ' A' ' 85' ' ' ILE . 3.1 m -138.33 163.43 31.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' ' 59' ' ' ARG . 2.2 t -148.55 173.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.548 ' H ' HG12 ' A' ' 49' ' ' VAL . 29.8 t -114.37 161.77 17.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -96.29 1.43 52.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -98.66 -14.47 19.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.986 HD23 ' HB3' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -35.69 -68.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.65 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . 166.38 -37.95 0.25 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -172.36 170.65 4.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.32 71.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.218 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 p -67.06 -26.33 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.986 ' HB3' HD23 ' A' ' 53' ' ' LEU . 95.7 mt -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.604 ' HB3' HG11 ' A' ' 49' ' ' VAL . 14.3 mtm180 -71.14 -7.89 49.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -95.48 -33.51 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.244 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -69.25 -41.23 77.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 1.045 HG21 ' HB2' ' A' ' 86' ' ' ALA . 2.0 mt -69.12 -28.29 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.231 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 66' ' ' ILE . 20.0 tttt -86.05 -63.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 10.7 ptp180 -38.27 -44.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.627 ' CB ' HD13 ' A' ' 98' ' ' ILE . . . -69.41 -45.28 69.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.739 ' CD1' HG21 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -58.06 -27.01 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.58 -1.22 57.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.06 -35.83 8.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 71' ' ' LYS . 5.1 t-20 -75.27 -64.95 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.982 ' CZ ' HD11 ' A' ' 82' ' ' ILE . 1.8 m-85 -45.93 -21.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER -59.11 -49.17 78.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 69' ' ' ASN . 3.1 m -80.91 -40.79 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 80.6 m-70 -73.47 -2.54 22.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' PHE . 1.5 ttpm? -47.29 -25.45 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.52 -23.76 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.573 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 5.2 m170 -72.41 -33.15 66.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.575 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.644 ' C ' HD13 ' A' ' 78' ' ' LEU . 1.5 mp -72.43 154.02 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.968 ' N ' HD13 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -138.89 160.28 40.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -48.83 145.8 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.594 ' HD2' HD23 ' A' ' 78' ' ' LEU . 26.9 mttt 155.79 -107.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.531 ' OD2' HD11 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -170.66 95.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.982 HD11 ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -112.99 130.96 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' TYR . 4.1 mt -151.5 110.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.069 ' C ' HD13 ' A' ' 85' ' ' ILE . 10.1 m -100.14 124.27 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.069 HD13 ' C ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -114.03 153.85 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 1.045 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -89.75 96.89 10.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -32.3 -69.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.52 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.8 OUTLIER 168.02 -50.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -74.96 6.88 3.11 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.542 1.811 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.714 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -85.35 3.28 40.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.761 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.71 -31.3 64.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.45 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 3.4 m-20 -83.59 -16.06 46.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.714 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -58.31 177.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.784 ' O ' HD12 ' A' ' 98' ' ' ILE . 64.4 p -123.09 166.79 14.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.425 ' HA ' HD13 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -64.59 -8.35 13.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.4 ' HA ' ' NE2' ' A' ' 99' ' ' GLN . 1.8 tm? -98.49 -44.87 6.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.496 ' CB ' ' HG2' ' A' ' 93' ' ' MET . 1.5 mm-40 -49.05 -42.05 37.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.784 HD12 ' O ' ' A' ' 94' ' ' THR . 1.1 mp -39.97 -60.15 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 96' ' ' LEU . 7.2 mt-30 -54.18 -36.56 63.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.347 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 97' ' ' GLN . 2.0 m-20 -68.58 -33.6 74.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 1.1 m -71.62 -53.05 14.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.6 OUTLIER -54.21 -20.22 6.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -2.68 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.535 ' CD2' ' HB3' ' A' ' 27' ' ' ASN . 1.4 t-160 -135.72 -74.98 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.532 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.742 HG22 HG22 ' A' ' 32' ' ' VAL . 4.1 p -37.95 -52.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.955 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -69.36 -44.33 71.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.674 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 1.8 tttt -51.17 -22.05 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.626 HG22 HG11 ' A' ' 25' ' ' VAL . 3.5 mt -90.91 -44.51 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.836 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -52.07 -41.23 62.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 29.7 tttt 81.07 32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.955 HG22 HD13 ' A' ' 106' ' ' LEU . 27.7 m -90.34 20.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.674 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 2.8 p90 -137.83 125.23 21.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.608 HD22 HD12 ' A' ' 78' ' ' LEU . 13.4 p30 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.548 ' CB ' ' CE2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 120.525 0.202 . . . . 0.0 111.006 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.19 86.28 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.775 HG21 ' HD1' ' A' ' 15' ' ' PHE . 57.5 mt -70.06 105.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -103.77 5.04 35.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -168.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' PHE . 33.5 m-20 -111.47 -44.02 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . . . -48.07 -42.99 30.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HB2' HG23 ' A' ' 9' ' ' ILE . 20.5 m-20 -57.64 -30.7 65.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.775 ' HD1' HG21 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -86.55 -41.14 14.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 13' ' ' ALA . 4.4 pt20 -62.69 -39.47 94.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.97 -26.21 64.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 110.234 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.487 HD12 ' CD1' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -76.98 -59.25 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -59.87 -14.28 14.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.02 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -123.36 3.86 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.14 164.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' THR . 2.5 t-160 -117.27 99.55 7.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 0.763 . . . . 0.0 109.598 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.7 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 92.5 p -88.67 154.82 20.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.664 HG22 HG23 ' A' ' 32' ' ' VAL . 17.9 m -131.73 -155.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 167.81 131.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.848 ' ND2' ' H ' ' A' ' 28' ' ' ARG . 0.9 OUTLIER -100.05 -59.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.077 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.848 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 32.9 mtm-85 -130.03 -74.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.552 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 3.4 pm0 -122.38 -4.52 8.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.764 ' CZ ' HG23 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -105.18 134.62 47.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG22 HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -125.6 117.85 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.076 ' CG1' HG12 ' A' ' 84' ' ' VAL . 19.0 m -99.24 119.08 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.743 ' CD1' ' CD1' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -95.87 117.69 31.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.497 HG21 ' HB1' ' A' ' 109' ' ' ALA . 33.9 p -123.12 167.7 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 108.28 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CE2' ' CB ' ' A' ' 7' ' ' TYR . 37.0 p90 -109.17 -175.06 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 2.0 mtt-85 -135.09 104.36 5.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.706 ' CD2' ' CE1' ' A' ' 70' ' ' PHE . 12.0 mt -91.31 101.29 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 83' ' ' ILE . . . -124.38 148.04 16.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.567 HG13 HG21 ' A' ' 66' ' ' ILE . 4.5 mp -112.84 136.09 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.792 ' HB3' HG23 ' A' ' 85' ' ' ILE . 1.2 m -135.79 147.39 48.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.823 HG21 ' HG3' ' A' ' 59' ' ' ARG . 87.6 t -134.91 167.89 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 49' ' ' VAL . 29.3 t -95.72 163.13 13.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.939 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -101.19 1.27 38.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -104.53 -19.62 13.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.787 HD22 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -37.57 -66.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.703 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 164.15 -109.32 0.37 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.698 ' O ' HD11 ' A' ' 58' ' ' LEU . 9.0 t30 -88.03 -158.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.72 -21.67 14.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.36 -36.38 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.838 HD12 ' N ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -76.71 -21.51 55.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.838 ' N ' HD12 ' A' ' 58' ' ' LEU . 31.2 ttt180 -90.6 -8.98 48.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.265 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -92.23 -30.73 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.545 ' O ' HD13 ' A' ' 98' ' ' ILE . 2.2 ttpt -76.21 -35.96 58.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.918 HG21 ' HB2' ' A' ' 86' ' ' ALA . 13.8 mt -68.48 -34.63 66.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.547 ' HG3' HG21 ' A' ' 47' ' ' ILE . 11.3 tttt -87.99 -43.06 12.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 6.3 ttt85 -46.84 -61.85 1.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.854 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -51.18 -50.29 59.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.747 HD13 HG23 ' A' ' 84' ' ' VAL . 95.2 mt -51.55 -52.68 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -8.24 31.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 15.4 tt0 -109.8 -3.68 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.662 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 1.1 t30 -118.43 -9.48 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.706 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -97.52 -10.72 24.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.74 2.73 30.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.58 HG23 ' N ' ' A' ' 73' ' ' HIS . 8.5 m -97.08 -55.49 6.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.69 ' CE1' HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -101.49 18.38 20.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.582 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 1.9 tttt -49.92 -22.36 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.6 m -89.12 -28.4 20.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.652 ' N ' ' CD2' ' A' ' 76' ' ' HIS . 0.1 OUTLIER -77.23 -19.52 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.69 HD11 ' CE1' ' A' ' 73' ' ' HIS . 1.2 mp -81.07 133.59 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -104.2 -179.44 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.54 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -52.13 -176.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 6.4 mttm 91.64 119.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.416 ' HA ' ' HB2' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -49.71 154.84 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.714 ' HB ' HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -159.06 143.2 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.728 HG22 HG13 ' A' ' 85' ' ' ILE . 20.7 mt -157.38 104.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 1.076 HG12 ' CG1' ' A' ' 32' ' ' VAL . 27.6 m -85.43 89.5 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.792 HG23 ' HB3' ' A' ' 48' ' ' SER . 0.9 OUTLIER -82.66 158.35 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.918 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -96.05 104.34 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.519 ' C ' ' CG ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -35.16 -84.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.519 ' CG ' ' C ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -164.41 -56.77 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.519 ' HD2' ' H ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.0 9.52 2.0 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.632 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -79.5 12.73 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 2.9 pttp -84.42 -37.94 20.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.447 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.4 m-20 -76.07 -2.33 30.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.596 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -68.39 -170.04 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 93' ' ' MET . 6.7 p -154.84 156.69 36.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.583 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.4 m -47.71 -20.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.562 ' C ' HD13 ' A' ' 96' ' ' LEU . 2.6 tm? -78.95 -48.89 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.455 ' HG3' ' OG1' ' A' ' 94' ' ' THR . 39.0 mt-30 -64.73 -50.43 66.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.854 HG21 ' HB3' ' A' ' 65' ' ' ALA . 10.6 mt -43.77 -28.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 97' ' ' GLN . 70.6 mt-30 -86.73 -40.36 15.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLN . 29.9 m-20 -68.86 -19.13 64.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.438 ' OG ' ' NE2' ' A' ' 29' ' ' GLN . 55.2 m -71.46 -56.33 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.475 HD13 ' ND2' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -49.8 -22.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -5.37 24.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.873 ' NE2' HD11 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -140.04 -71.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.672 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 30' ' ' PHE . 9.9 p -36.15 -52.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.996 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -65.39 -43.87 89.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.804 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 24.4 mttt -49.27 -21.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.873 HD11 ' NE2' ' A' ' 104' ' ' HIS . 6.7 mt -90.46 -38.81 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.875 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -58.98 -40.63 85.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.446 ' CG ' ' C ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 81.2 38.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.996 HG22 HD13 ' A' ' 106' ' ' LEU . 18.1 m -104.39 23.5 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.804 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 0.5 OUTLIER -145.31 121.15 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.743 ' N ' HD11 ' A' ' 78' ' ' LEU . 73.2 m-80 . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.594 1.184 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.841 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 41.0 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.525 0.203 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -78.5 111.74 14.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.6 HD11 ' HB2' ' A' ' 44' ' ' ARG . 15.6 mt -89.46 101.81 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.6 4.57 35.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -113.96 156.54 23.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' PHE . 1.8 t-20 -83.58 -47.47 11.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.51 -45.41 26.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.587 ' CB ' HG23 ' A' ' 9' ' ' ILE . 21.9 m-20 -54.49 -32.47 57.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -87.06 -39.32 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -39.1 81.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -26.46 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.667 ' N ' HD13 ' A' ' 18' ' ' ILE . 1.3 mm -79.58 -58.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.733 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 5.7 m-85 -58.4 -14.82 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.38 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 14.71 5.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.31 176.01 5.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -129.79 103.73 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.489 0.758 . . . . 0.0 109.648 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.506 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 70.9 p -95.13 137.49 34.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.656 HG11 HG22 ' A' ' 108' ' ' ILE . 27.1 m -114.81 128.7 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -116.19 138.7 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.495 ' OD1' ' CE1' ' A' ' 104' ' ' HIS . 41.2 t30 -119.15 -142.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 27' ' ' ASN . 40.2 mmt180 -33.54 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.963 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -139.55 30.09 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.546 ' CE2' ' HB ' ' A' ' 84' ' ' VAL . 3.5 t80 -127.42 147.94 50.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.684 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -136.99 109.24 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.553 HG21 ' O ' ' A' ' 105' ' ' VAL . 26.9 m -106.54 126.7 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.733 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 3.8 m-85 -93.57 134.5 35.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 1.082 HG21 ' HB1' ' A' ' 109' ' ' ALA . 29.9 p -157.0 147.4 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 1.9 p . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 108.296 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.841 ' CZ ' ' CZ ' ' A' ' 7' ' ' TYR . 39.7 p90 -64.08 96.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.6 ' HB2' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -71.37 128.21 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.95 ' CD2' HD12 ' A' ' 82' ' ' ILE . 13.9 mt -102.08 128.82 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.544 ' HA3' ' CE1' ' A' ' 15' ' ' PHE . . . -112.41 -54.47 0.48 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.45 HG23 HD13 ' A' ' 66' ' ' ILE . 45.1 mt 66.78 129.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 0.787 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.904 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.6 m -148.74 160.89 42.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 48' ' ' SER . 3.0 t -167.08 165.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.551 ' H ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -92.19 166.35 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -92.76 -13.36 29.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.92 -14.47 14.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.986 ' C ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -114.49 -12.44 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.541 ' HA3' ' CG1' ' A' ' 49' ' ' VAL . . . -109.56 36.46 4.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.045 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.565 ' N ' ' HB2' ' A' ' 58' ' ' LEU . 41.0 t30 -41.86 167.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.99 -32.65 54.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -33.3 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.565 ' HB2' ' N ' ' A' ' 55' ' ' ASN . 17.5 mt -75.39 -45.34 39.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -67.44 -3.1 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 2.0 m-20 -103.67 -17.82 14.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -106.63 -18.87 13.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.41 HG21 ' HB2' ' A' ' 86' ' ' ALA . 30.3 mt -94.12 -37.34 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -76.2 -41.78 48.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.524 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 9.1 ptm180 -64.05 -44.36 92.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.524 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -68.85 -9.52 51.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.624 HG12 HG21 ' A' ' 84' ' ' VAL . 15.0 mt -99.95 -29.85 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.209 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.3 -0.97 56.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.437 ' OE2' ' NE2' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -117.81 -0.85 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.616 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 2.2 t-20 -116.47 1.58 12.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.615 ' HZ ' HD11 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -110.07 -39.49 5.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.919 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -74.14 -4.73 37.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.476 HG23 ' CD2' ' A' ' 73' ' ' HIS . 11.7 m -113.23 -43.66 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 43.5 m-70 -71.32 -17.56 62.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -58.87 -20.15 48.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 0.4 OUTLIER -85.43 33.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.023 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.616 ' NE2' ' CE1' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -178.88 -28.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.621 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.565 HD13 ' HB3' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -60.18 137.89 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.846 HD23 ' HD2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -115.34 174.49 5.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.614 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -53.14 -167.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.846 ' HD2' HD23 ' A' ' 78' ' ' LEU . 37.3 mttt 96.28 118.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 1.4 p30 -39.66 126.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.95 HD12 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -137.71 139.04 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.585 HG21 ' CE2' ' A' ' 15' ' ' PHE . 1.1 mt -153.53 119.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.624 HG21 HG12 ' A' ' 66' ' ' ILE . 11.4 m -99.34 115.07 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.901 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -120.31 150.85 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.505 ' CB ' HD11 ' A' ' 53' ' ' LEU . . . -82.07 109.2 16.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.508 ' N ' HG12 ' A' ' 31' ' ' VAL . 16.2 tpt85 -31.81 -70.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.567 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 164.31 -47.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.02 7.26 2.95 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.963 ' HB2' ' HB2' ' A' ' 29' ' ' GLN . . . -87.42 19.8 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.656 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -88.34 3.85 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -147.78 46.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.798 ' HE1' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -127.37 -172.62 2.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 97' ' ' GLN . 8.6 p -134.07 150.51 51.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.823 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.5 m -43.74 -24.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.8 tm? -65.9 -43.22 88.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.217 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' THR . 34.2 mt-30 -69.84 -24.75 63.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 95' ' ' THR . 61.9 mt -72.65 -53.83 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.437 ' NE2' ' OE2' ' A' ' 68' ' ' GLU . 1.7 mm-40 -58.87 -35.28 72.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -68.51 -22.77 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 105' ' ' VAL . 21.6 p -90.72 -55.64 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.831 ' O ' HD23 ' A' ' 106' ' ' LEU . 2.0 mt -48.58 -34.32 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -6.6 22.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.35 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' HIS . . . . . 0.685 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -134.7 -68.7 0.53 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.553 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -42.07 -39.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.831 HD23 ' O ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -81.54 -37.44 27.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' HIS . 6.3 tmtt? -55.32 -34.99 64.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.656 HG22 HG11 ' A' ' 25' ' ' VAL . 37.4 mt -79.91 -34.18 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 1.082 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -39.8 -29.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 4.1 tptt 90.37 11.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.782 ' CG2' HD12 ' A' ' 106' ' ' LEU . 15.1 m -91.19 30.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.595 1.184 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.705 ' CE1' HD11 ' A' ' 106' ' ' LEU . 1.8 m-85 -130.34 122.87 28.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.834 ' N ' HD11 ' A' ' 78' ' ' LEU . 4.1 p30 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.229 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 tpp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.559 0.219 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.527 ' C ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -129.85 -174.72 3.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.107 HD21 ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -104.28 170.44 7.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.383 1.052 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.607 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 6.9 tt0 -120.01 -146.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.577 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.6 OUTLIER -70.39 -2.82 14.86 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.738 ' HB1' ' CG ' ' A' ' 42' ' ' HIS . . . -44.89 -37.6 4.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 1.107 ' CE2' HD21 ' A' ' 3' ' ' LEU . 0.1 OUTLIER -90.46 25.74 2.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.986 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -129.24 170.44 13.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.52 ' CD1' HD11 ' A' ' 83' ' ' ILE . 37.4 mt -135.62 114.08 15.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -131.13 6.3 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.235 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.33 -174.83 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLN . 9.3 p30 -95.95 -48.18 5.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.13 -38.51 62.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.441 ' CB ' HG23 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -68.54 -25.41 64.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -91.41 -28.14 17.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -80.34 -33.78 37.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 110.25 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.493 ' O ' ' CB ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -42.55 -73.47 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -47.24 -55.24 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.442 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 3.2 m-85 -57.53 -13.53 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 111.034 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -75.19 -79.21 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 -3.38 10.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -48.73 158.39 0.94 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.549 1.156 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' THR . 14.1 t60 -104.55 100.93 10.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 109.55 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.561 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . 35.1 p -93.15 154.1 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.401 1.063 . . . . 0.0 109.998 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.73 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 13.3 m -128.89 -142.9 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 160.38 128.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.69 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 9.6 p30 -87.78 -87.87 0.15 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.69 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 10.5 ptp180 -122.65 -46.11 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.252 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.539 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.39 13.15 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.295 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.702 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -135.61 137.39 41.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.939 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -126.75 146.17 33.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.1 HG12 HG12 ' A' ' 84' ' ' VAL . 15.3 m -127.77 128.19 69.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 24' ' ' SER . 6.3 m-85 -106.89 130.12 54.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.54 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 29.7 p -140.84 165.2 28.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 110.406 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 36' ' ' ASN . 12.9 t -146.4 155.17 42.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 108.276 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.444 ' N ' ' SG ' ' A' ' 35' ' ' CYS . 14.8 m-20 48.75 95.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 36' ' ' ASN . 6.8 m120 -38.76 -37.86 0.37 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.111 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -169.81 73.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.569 ' C ' HD13 ' A' ' 40' ' ' ILE . 1.5 tt0 -133.64 27.77 3.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.361 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.569 HD13 ' C ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -130.96 -161.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.136 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -146.85 13.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.738 ' CG ' ' HB1' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -166.9 121.67 1.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.632 ' CG ' HG22 ' A' ' 77' ' ' ILE . 4.4 p90 -67.54 88.82 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.98 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' HB3' ' CG1' ' A' ' 9' ' ' ILE . 2.6 mtm180 -51.7 93.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.726 HD21 ' CD2' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -77.4 137.06 38.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.433 ' H ' HD23 ' A' ' 45' ' ' LEU . . . -143.85 161.61 27.79 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.455 ' CG2' ' HG2' ' A' ' 63' ' ' LYS . 5.3 mt -136.6 127.57 41.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 1.013 ' CB ' HG23 ' A' ' 85' ' ' ILE . 9.3 m -143.16 148.02 35.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.967 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.852 HG22 HD13 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -137.22 179.15 3.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.442 ' H ' HG22 ' A' ' 49' ' ' VAL . 4.8 t -100.26 170.53 8.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.524 1.14 . . . . 0.0 109.988 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 pttt -104.05 1.97 31.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 53' ' ' LEU . 13.5 mttt -110.57 -15.21 13.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.008 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.2 OUTLIER -35.95 -73.04 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.082 . . . . 0.0 109.302 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.922 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . 172.86 -110.93 0.36 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.456 1.098 . . . . 0.0 111.044 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -100.89 179.16 4.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 0.76 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.402 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . -67.53 -24.31 65.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.173 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.71 -26.29 30.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.008 HD13 ' HB2' ' A' ' 91' ' ' LYS . 97.8 mt -81.94 -44.27 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.773 ' HB2' HG11 ' A' ' 49' ' ' VAL . 2.7 ptm180 -71.98 -5.03 32.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.508 ' O ' ' N ' ' A' ' 63' ' ' LYS . 0.8 OUTLIER -95.25 -56.67 2.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.255 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.484 ' C ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -47.71 -46.16 29.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.008 ' CD1' HD21 ' A' ' 53' ' ' LEU . 4.9 mt -62.01 -24.27 34.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 60' ' ' ASN . 64.1 mttt -89.76 -58.04 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 67' ' ' ARG . 2.5 mtp180 -49.71 -67.87 0.22 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.594 1.184 . . . . 0.0 110.343 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 95' ' ' THR . . . -42.95 -28.28 0.25 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.871 HD13 ' O ' ' A' ' 62' ' ' ILE . 1.0 OUTLIER -83.45 -41.09 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.282 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -70.42 -9.8 57.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.321 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.66 -26.95 14.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.505 ' O ' HG22 ' A' ' 72' ' ' VAL . 1.7 t-20 -82.61 -68.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 1.06 ' CZ ' HD11 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -40.53 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' ASN . 0.1 OUTLIER -60.77 -47.9 84.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.596 ' O ' ' CD2' ' A' ' 76' ' ' HIS . 3.1 m -77.75 -41.99 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.567 ' HA ' ' CG ' ' A' ' 76' ' ' HIS . 59.2 m-70 -76.94 2.02 15.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -53.87 -41.08 67.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.386 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.18 12.23 27.34 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 0.0 109.951 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 72' ' ' VAL . 1.3 m170 -113.43 -19.01 11.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.647 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.632 HG22 ' CG ' ' A' ' 43' ' ' PHE . 1.7 mp -89.62 142.87 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.915 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -113.47 161.39 17.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.558 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -60.98 129.65 42.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.778 ' O ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER 159.64 49.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.263 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.778 ' O ' ' O ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER 34.8 111.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.06 HD11 ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -131.47 131.5 62.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.548 HG22 ' CD1' ' A' ' 85' ' ' ILE . 12.6 mt -150.3 158.56 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.398 1.061 . . . . 0.0 109.26 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.1 HG12 HG12 ' A' ' 32' ' ' VAL . 14.9 m -136.52 115.03 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.013 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -107.62 146.53 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.918 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -91.6 117.42 29.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 109.304 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.502 ' HG2' HG13 ' A' ' 31' ' ' VAL . 21.3 mmm-85 -49.58 -68.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.494 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.4 OUTLIER 171.47 -52.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.6 Cg_endo -74.93 2.39 6.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.496 1.787 . . . . 0.0 110.987 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.648 ' HB1' ' CE ' ' A' ' 93' ' ' MET . . . -75.69 -2.07 27.83 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.538 1.148 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 1.008 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -66.56 -36.65 83.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.94 -23.71 66.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.648 ' CE ' ' HB1' ' A' ' 90' ' ' ALA . 5.6 mtm -66.64 166.99 11.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.989 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.903 ' C ' HD12 ' A' ' 98' ' ' ILE . 18.1 p -133.99 -178.58 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.697 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 1.0 OUTLIER -60.94 -8.25 3.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.398 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.34 -43.38 6.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 100' ' ' ASN . 30.9 mt-30 -79.58 -48.21 14.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.903 HD12 ' C ' ' A' ' 94' ' ' THR . 9.7 mt -45.12 -40.19 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.478 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 74.6 mt-30 -72.29 -35.74 68.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.362 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' GLN . 8.1 m-20 -72.39 -6.12 41.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 27.7 m -78.08 -47.88 17.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.778 HD21 HG13 ' A' ' 66' ' ' ILE . 1.5 mp -62.41 -17.1 58.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.59 -2.55 14.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.492 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 1.2 t-160 -134.99 -77.6 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.697 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.709 HG22 HG22 ' A' ' 32' ' ' VAL . 4.2 p -39.96 -53.06 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.904 HD13 ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -64.07 -43.07 96.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.1 OUTLIER -58.86 -16.7 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.576 1.172 . . . . 0.0 109.344 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.476 HG22 HG11 ' A' ' 25' ' ' VAL . 2.0 mt -96.31 -33.29 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.893 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -51.5 -36.92 46.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 87.8 23.95 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.904 ' CG2' HD13 ' A' ' 106' ' ' LEU . 21.9 m -90.3 23.18 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.726 ' CE2' HD11 ' A' ' 106' ' ' LEU . 1.4 m-85 -126.72 124.41 39.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.53 ' CG ' HD12 ' A' ' 78' ' ' LEU . 68.2 m-80 -52.41 -31.46 34.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.592 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 1.2 mmtt -157.88 -43.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.592 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 2.9 ttpt 95.34 98.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -66.6 157.78 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.122 . . . . 0.0 109.353 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.46 0.171 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.8 -58.76 7.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.827 HD12 ' CZ ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -134.83 134.29 40.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.315 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.784 ' N ' HD13 ' A' ' 3' ' ' LEU . 3.0 tt0 -115.46 -156.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 110.269 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.4 ' C ' ' N ' ' A' ' 7' ' ' TYR . 3.2 pttt -55.44 -13.58 1.55 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.378 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.044 ' HB1' ' CG ' ' A' ' 42' ' ' HIS . . . -45.56 -27.9 0.84 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.827 ' CZ ' HD12 ' A' ' 3' ' ' LEU . 46.7 m-85 -36.45 -33.97 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 111.007 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -112.35 -169.01 1.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.152 . . . . 0.0 110.233 -179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.696 HG21 ' CD1' ' A' ' 15' ' ' PHE . 1.3 mm -100.25 127.06 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.54 6.34 4.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.469 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 6.1 mttm -148.89 116.64 6.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' PHE . 8.8 p30 -50.92 -45.55 60.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.36 -56.12 3.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.555 ' OD2' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -49.77 -37.19 28.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.696 ' CD1' HG21 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -75.23 -42.94 54.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -62.92 -40.17 96.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -50.3 -42.93 53.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 81' ' ' ASP . 1.7 mt -60.11 -65.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -53.69 -16.43 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -73.74 -87.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' O ' ' O ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -98.86 -20.75 16.67 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.471 ' HA3' ' O ' ' A' ' 18' ' ' ILE . . . -36.54 157.51 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.127 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.548 ' CD2' ' O ' ' A' ' 23' ' ' HIS . 1.3 p-80 -121.24 118.51 29.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.549 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.628 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 62.2 p -97.8 155.92 16.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.034 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.71 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 16.7 m -123.41 -144.47 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 160.81 131.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.586 ' CG ' ' HB ' ' A' ' 105' ' ' VAL . 3.8 p30 -89.06 -95.35 0.1 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.557 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -121.38 -40.39 2.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.345 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.753 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.77 23.99 2.24 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.269 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.631 ' CE2' HD11 ' A' ' 66' ' ' ILE . 2.5 t80 -147.41 156.97 43.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 110.944 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.538 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -146.7 133.83 14.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 105' ' ' VAL . 16.6 m -120.73 125.06 73.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.628 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 3.3 m-85 -95.35 122.34 37.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.789 HG21 ' HB1' ' A' ' 109' ' ' ALA . 43.0 p -140.05 154.94 47.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.407 ' HB3' ' OD2' ' A' ' 81' ' ' ASP . 8.3 t -116.18 -41.72 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 108.296 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.409 ' CB ' ' HG2' ' A' ' 80' ' ' LYS . 0.9 OUTLIER 42.04 80.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -112.55 158.35 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.277 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.32 60.27 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 179.42 39.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 110.297 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.816 HD12 ' O ' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -96.9 154.64 3.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.318 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.76 6.39 4.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 1.044 ' CG ' ' HB1' ' A' ' 6' ' ' ALA . 7.4 p80 177.84 176.7 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.56 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.675 ' CG ' ' CG2' ' A' ' 77' ' ' ILE . 1.6 p90 -112.62 84.81 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.662 ' O ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER -34.85 125.41 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.819 HD22 ' CE1' ' A' ' 70' ' ' PHE . 8.1 mt -123.27 89.24 3.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.67 ' C ' HD12 ' A' ' 47' ' ' ILE . . . -109.77 169.55 13.75 Favored Glycine 0 CA--C 1.531 1.093 0 O-C-N 124.499 1.124 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.67 HD12 ' C ' ' A' ' 46' ' ' GLY . 1.8 mp -119.23 119.85 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.567 0.804 . . . . 0.0 109.212 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.909 ' CB ' HG23 ' A' ' 85' ' ' ILE . 59.7 m -122.79 129.71 52.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.528 HG13 HD13 ' A' ' 53' ' ' LEU . 87.7 t -132.03 158.1 43.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 28.3 t -94.32 165.35 12.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -100.78 1.6 40.41 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.421 ' HB3' ' NE2' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -107.09 -15.3 14.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.366 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.686 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -40.25 -75.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.728 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . 172.05 -109.95 0.33 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.534 1.146 . . . . 0.0 110.985 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.505 ' N ' ' OD1' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -101.99 -179.36 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 0.786 . . . . 0.0 109.247 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -72.66 -23.46 60.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.454 HG12 HD22 ' A' ' 55' ' ' ASN . 2.5 p -65.99 -21.98 29.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.893 HD13 ' HB2' ' A' ' 91' ' ' LYS . 44.7 mt -84.45 -39.7 18.62 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.498 1.123 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -75.23 -8.98 58.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.1 m-20 -92.66 -41.51 10.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.838 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -72.13 -32.8 67.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.883 HD11 ' O ' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -74.12 -41.39 51.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.87 -16.12 45.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 11.3 ttt180 -68.68 -48.33 64.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.836 ' HB3' ' CG2' ' A' ' 98' ' ' ILE . . . -79.62 -9.74 59.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.683 HG13 HD21 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -93.7 -26.1 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.34 -9.81 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.434 1.084 . . . . 0.0 110.283 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -109.1 -9.76 15.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.55 ' CG ' HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -89.75 -36.46 15.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.249 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.819 ' CE1' HD22 ' A' ' 45' ' ' LEU . 10.5 m-85 -66.8 -46.74 74.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 74' ' ' LYS . 0.1 OUTLIER -62.71 -52.6 62.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.629 HG13 ' CD2' ' A' ' 73' ' ' HIS . 8.6 p -60.22 -52.32 62.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.408 1.067 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.63 ' O ' HD13 ' A' ' 77' ' ' ILE . 94.0 m-70 -84.44 17.22 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.087 . . . . 0.0 109.581 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 70' ' ' PHE . 5.2 ttpt -60.31 -47.23 86.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.4 m -83.09 -9.82 59.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 2.3 m-70 -90.72 -26.82 19.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.585 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.675 ' CG2' ' CG ' ' A' ' 43' ' ' PHE . 1.6 mp -83.07 145.56 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.823 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -120.82 154.44 35.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.59 1.181 . . . . 0.0 109.269 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.697 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -39.16 126.06 1.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.774 ' O ' HG22 ' A' ' 82' ' ' ILE . 2.0 mttp 162.26 110.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.492 ' HB2' ' CD1' ' A' ' 18' ' ' ILE . 0.7 OUTLIER -45.84 124.44 5.27 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.281 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.856 ' C ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -141.51 159.41 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.684 ' CD1' ' CE1' ' A' ' 15' ' ' PHE . 18.6 mt -157.0 115.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.632 HG13 HD11 ' A' ' 82' ' ' ILE . 6.3 m -90.38 114.34 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.605 1.191 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.909 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -114.59 143.51 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.365 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.697 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -94.98 119.66 33.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.494 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 0.2 OUTLIER -52.87 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.355 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 1.3 mt-30 -85.27 -58.2 0.35 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.298 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.0 7.78 2.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.463 1.77 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.883 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -82.99 7.71 14.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.893 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -83.57 -13.47 54.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -90.82 -6.01 54.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.45 ' O ' HG23 ' A' ' 94' ' ' THR . 6.8 mtm -72.09 -176.2 1.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.787 ' C ' HD12 ' A' ' 98' ' ' ILE . 14.4 p -154.38 160.05 41.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.409 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.68 ' N ' HD12 ' A' ' 98' ' ' ILE . 1.3 m -44.63 -22.29 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 0.0 110.4 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.451 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.1 tm? -76.87 -45.42 28.35 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 94' ' ' THR . 26.1 mt-30 -82.27 -43.35 17.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.838 HD13 ' O ' ' A' ' 61' ' ' LYS . 10.1 mt -49.04 -37.16 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.485 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 31.6 mt-30 -74.89 -38.63 61.83 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.597 1.186 . . . . 0.0 110.328 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -75.61 -13.84 60.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 109.299 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 97' ' ' GLN . 30.7 m -73.17 -49.48 27.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.164 . . . . 0.0 109.989 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.683 HD21 HG13 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -62.81 -16.35 57.87 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.578 1.174 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.04 -3.14 21.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.514 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 0.9 OUTLIER -133.9 -75.95 0.47 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.575 -179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.763 HG22 HG22 ' A' ' 32' ' ' VAL . 4.2 p -41.13 -51.04 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.732 ' CD1' ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -68.18 -40.72 82.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -58.42 -21.34 50.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 104' ' ' HIS . 2.9 mt -90.8 -38.51 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.789 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -42.18 -33.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 7.8 tptm 88.56 17.14 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.337 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.732 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 31.1 m -92.4 27.93 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.678 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -133.91 122.88 23.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.601 ' N ' HD11 ' A' ' 78' ' ' LEU . 17.2 m-80 -37.4 -39.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.82 -86.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 15.1 pttt 179.5 88.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' LYS . 0.3 OUTLIER -53.59 159.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.505 ' HE3' ' CZ ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.532 0.206 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.481 ' CB ' ' O ' ' A' ' 1' ' ' MET . 1.0 OUTLIER 86.4 -45.92 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.244 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.067 HD11 ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -69.09 177.4 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.356 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.674 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -78.17 -160.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' N ' ' OE1' ' A' ' 4' ' ' GLU . 1.6 ptpp? -104.12 -5.42 22.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 109.367 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.521 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . . . -61.16 -18.81 60.05 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 1.067 ' CD1' HD11 ' A' ' 3' ' ' LEU . 2.1 m-85 -123.7 26.98 7.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.53 168.68 19.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.731 HG22 ' H ' ' A' ' 10' ' ' LYS . 1.2 mm -99.73 -167.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.731 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 174.52 -34.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.51 166.93 10.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.385 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 15' ' ' PHE . 5.2 m-80 -78.89 -50.1 11.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.62 -58.54 1.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.416 ' HB2' ' CG2' ' A' ' 9' ' ' ILE . 51.5 m-20 -45.88 -39.92 9.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.615 1.197 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CE1' HD13 ' A' ' 83' ' ' ILE . 1.2 m-85 -77.28 -40.96 42.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' A' ' 20' ' ' LYS . 1.1 mt-30 -65.6 -35.53 81.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.506 ' O ' ' CB ' ' A' ' 20' ' ' LYS . 10.9 tpp180 -41.68 -75.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -46.14 -56.66 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.482 1.114 . . . . 0.0 109.374 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.451 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 5.0 m-85 -55.37 -15.86 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.58 1.175 . . . . 0.0 111.009 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 17' ' ' ARG . 0.0 OUTLIER -72.96 -80.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.94 2.56 10.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -51.61 170.62 0.36 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.143 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 25' ' ' VAL . 10.9 t60 -108.49 100.8 10.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 109.554 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.416 ' HB3' ' CE1' ' A' ' 33' ' ' TYR . 5.1 p -89.61 144.47 25.98 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.504 1.128 . . . . 0.0 110.031 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.564 HG13 ' CD2' ' A' ' 23' ' ' HIS . 30.8 m -138.18 139.26 42.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -131.48 123.54 28.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.704 HD21 ' N ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -74.2 -96.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.56 ' N ' HD22 ' A' ' 27' ' ' ASN . 0.5 OUTLIER -123.25 -37.31 2.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.649 ' HB3' ' HB2' ' A' ' 90' ' ' ALA . 2.9 mt-30 -144.11 50.13 1.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.704 ' N ' HD21 ' A' ' 27' ' ' ASN . 1.4 t80 177.89 143.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.685 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -133.85 130.87 56.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.424 1.077 . . . . 0.0 109.339 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.646 HG22 HG22 ' A' ' 105' ' ' VAL . 34.0 m -120.26 138.41 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.451 ' CD2' ' CD1' ' A' ' 19' ' ' TYR . 5.8 m-85 -109.28 133.13 53.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.684 HG21 ' HB1' ' A' ' 109' ' ' ALA . 70.5 p -144.86 156.77 44.19 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.453 1.096 . . . . 0.0 110.423 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 42.5 t -161.51 154.21 20.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 108.363 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.405 ' ND2' ' HD2' ' A' ' 80' ' ' LYS . 21.6 t30 -150.33 137.1 19.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 38' ' ' LYS . 6.8 t30 175.91 65.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 37' ' ' ASN . 1.5 mptp? 40.09 79.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.618 1.199 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -149.21 -51.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 110.327 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.504 HD13 ' NE ' ' A' ' 44' ' ' ARG . 2.2 tp -110.47 168.89 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.379 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.454 ' C ' ' CB ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -135.99 10.41 3.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.241 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.569 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 1.7 m-70 -151.33 162.04 41.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.624 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.728 ' CD2' ' CG2' ' A' ' 77' ' ' ILE . 45.8 p90 -78.32 108.7 11.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.504 ' NE ' HD13 ' A' ' 40' ' ' ILE . 4.4 mtm180 -79.8 114.18 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 110.333 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.913 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -89.17 121.47 31.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.497 ' C ' HD13 ' A' ' 47' ' ' ILE . . . -129.67 132.84 7.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.829 HD13 ' N ' ' A' ' 47' ' ' ILE . 0.0 OUTLIER -104.76 134.02 47.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.929 ' CB ' HG23 ' A' ' 85' ' ' ILE . 66.1 m -144.37 134.72 24.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.142 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.573 HG11 ' CD ' ' A' ' 59' ' ' ARG . 42.3 t -139.95 161.9 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.501 ' HB3' HD12 ' A' ' 53' ' ' LEU . 26.9 t -94.07 163.33 13.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.79 0.83 33.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.597 1.186 . . . . 0.0 109.241 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.1 OUTLIER -103.88 -17.68 14.93 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.693 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.36 -68.74 0.15 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.103 . . . . 0.0 109.283 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.919 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 168.16 -113.92 0.55 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.546 1.154 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.563 ' O ' HD11 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -95.27 -158.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.286 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' A' ' 59' ' ' ARG . . . -95.95 -19.68 19.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 p -63.81 -37.19 79.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.953 HD22 ' HB2' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -82.7 -22.28 34.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.619 ' N ' HD12 ' A' ' 58' ' ' LEU . 30.3 mtm180 -88.8 -12.63 41.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -87.9 -38.62 15.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -71.29 -37.74 71.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.866 HG21 ' HB2' ' A' ' 86' ' ' ALA . 71.7 mt -69.61 -26.6 31.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 66' ' ' ILE . 0.3 OUTLIER -90.21 -63.51 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.535 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 6.4 ptm180 -38.26 -44.34 0.87 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.246 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -63.45 -47.76 80.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.563 HD13 ' CG2' ' A' ' 84' ' ' VAL . 47.2 mt -50.07 -47.19 24.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.505 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 2.1 ptm180 -85.55 13.0 7.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.1 -28.64 11.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.621 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -99.44 -55.15 2.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.355 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.913 ' CE2' HD21 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -31.27 -39.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ASN . 4.8 tptt -57.52 -66.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.621 HG22 ' O ' ' A' ' 69' ' ' ASN . 16.2 m -54.92 -37.55 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.958 ' CE1' HD21 ' A' ' 106' ' ' LEU . 46.9 m-70 -71.05 -19.89 62.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.416 1.073 . . . . 0.0 109.54 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -66.33 -18.05 65.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.4 179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.31 36.19 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 77' ' ' ILE . 0.6 OUTLIER -175.35 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.588 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.728 ' CG2' ' CD2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -44.9 141.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.722 HD22 ' H ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.19 178.4 4.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.547 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -66.92 130.35 42.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.547 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 159.76 112.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 34' ' ' THR . 47.0 t0 -47.78 121.07 3.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.514 HD13 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -127.9 156.35 39.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.528 HD13 ' CE1' ' A' ' 15' ' ' PHE . 30.7 mt -155.47 126.09 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.574 ' HB ' ' CZ ' ' A' ' 30' ' ' PHE . 1.6 m -106.99 125.13 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.929 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -123.0 146.59 28.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.866 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -81.74 113.11 19.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.482 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 6.5 mmt180 -34.61 -91.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.302 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.516 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -174.78 -57.7 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.369 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.3 Cg_endo -74.98 4.68 4.51 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.48 1.779 . . . . 0.0 110.983 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.007 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -87.49 21.34 2.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.953 ' HB2' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -77.62 -18.71 56.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.325 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.79 23.24 14.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 1.007 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -81.36 -165.91 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.015 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 93' ' ' MET . 1.6 p -154.88 145.31 22.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.376 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.71 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.3 m -43.63 -24.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.75 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -73.72 -49.17 26.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.296 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 94' ' ' THR . 2.7 mm-40 -66.35 -37.94 86.48 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 95' ' ' THR . 12.7 mt -55.88 -42.26 70.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.473 ' CG ' ' O ' ' A' ' 95' ' ' THR . 2.4 mm-40 -65.76 -31.87 73.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.232 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.43 -34.14 60.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.52 ' CB ' ' OD1' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -75.18 -51.71 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.949 HD23 HD22 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -54.0 -34.16 59.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -69.81 -1.48 9.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.378 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.555 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -122.95 -73.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.585 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.646 HG22 HG22 ' A' ' 32' ' ' VAL . 2.7 p -46.92 -52.02 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.958 HD21 ' CE1' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -68.9 -40.93 78.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.61 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 1.7 tmtt? -54.81 -43.59 73.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.1 mt -68.67 -36.34 74.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.684 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -41.81 -37.29 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.452 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 84.11 30.39 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 109.231 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.9 ' CG2' HD12 ' A' ' 106' ' ' LEU . 4.6 m -84.26 6.51 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.61 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 15.2 m-85 -106.51 124.87 50.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.695 ' N ' HD11 ' A' ' 78' ' ' LEU . 19.4 m-80 -35.95 -36.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -138.92 -82.05 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -177.32 89.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.189 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.423 HG13 ' ND1' ' A' ' 76' ' ' HIS . 0.1 OUTLIER -41.39 160.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.415 ' N ' HG23 ' A' ' 116' ' ' ILE . 6.7 tttt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 mtt . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.511 0.196 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 14.7 mt -146.13 -103.54 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.021 HD13 ' N ' ' A' ' 4' ' ' GLU . 1.4 tm? -175.2 143.55 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 1.021 ' N ' HD13 ' A' ' 3' ' ' LEU . 1.8 tt0 -153.05 -159.69 1.03 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.26 -4.56 10.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.344 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.731 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . . . -63.07 -17.18 61.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.784 ' CD1' HD22 ' A' ' 3' ' ' LEU . 0.4 OUTLIER -133.2 24.51 4.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.94 121.48 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.977 HD12 HD11 ' A' ' 83' ' ' ILE . 5.4 mm -70.98 76.87 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.13 -28.94 9.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.12 153.77 21.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.417 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.1 t-20 -75.67 -28.09 58.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.371 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.67 -41.94 67.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.84 -26.0 67.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.614 ' O ' ' CD2' ' A' ' 19' ' ' TYR . 13.2 m-85 -88.77 -33.17 17.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ASN . 2.3 tt0 -76.78 -48.05 19.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -38.98 -46.65 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.423 HG21 ' O ' ' A' ' 33' ' ' TYR . 1.1 mt -69.95 -56.98 9.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 15' ' ' PHE . 10.1 m-85 -48.78 -22.54 0.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.77 -82.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.65 13.97 4.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.03 176.83 2.38 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.548 ' O ' ' CD2' ' A' ' 23' ' ' HIS . 7.3 p-80 -122.44 111.26 16.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 0.77 . . . . 0.0 109.618 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.511 ' HB3' ' CD1' ' A' ' 33' ' ' TYR . 52.9 p -95.98 158.31 15.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 105' ' ' VAL . 13.9 m -143.0 125.07 12.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.586 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -108.81 104.62 13.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.359 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.674 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 8.6 p30 -54.13 -88.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.243 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.674 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 18.5 mmt85 -124.32 -43.12 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 110.349 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -140.71 9.98 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.586 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -133.31 138.11 46.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.564 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -112.43 134.51 54.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.068 HG11 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -115.99 99.56 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 24' ' ' SER . 6.0 m-85 -80.8 93.02 6.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.603 HG21 ' HB1' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -114.55 159.01 20.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 110.375 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 36' ' ' ASN . 16.3 p -129.71 122.64 29.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 108.237 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.507 ' O ' ' N ' ' A' ' 38' ' ' LYS . 3.5 p-10 -48.66 178.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -47.85 91.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.169 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 36' ' ' ASN . 0.0 OUTLIER -108.89 61.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 59.85 19.07 7.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.425 HD12 ' O ' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -84.81 159.71 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.432 ' C ' ' CG ' ' A' ' 42' ' ' HIS . 0.3 OUTLIER -148.0 15.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.118 . . . . 0.0 109.42 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.501 ' C ' ' HA ' ' A' ' 79' ' ' ALA . 4.3 m-70 -153.3 168.17 26.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.558 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' PHE . 1.8 p90 -116.93 128.62 55.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.656 ' CG ' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -126.33 102.76 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.267 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.193 HD13 ' CD2' ' A' ' 70' ' ' PHE . 52.4 mt -80.59 138.2 36.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.308 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.731 ' C ' HD12 ' A' ' 47' ' ' ILE . . . -126.24 167.8 18.56 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.536 1.148 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.731 HD12 ' C ' ' A' ' 46' ' ' GLY . 4.4 mp -137.52 110.51 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.6 0.823 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.968 ' HB3' HG23 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -124.22 142.11 51.51 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.395 1.059 . . . . 0.0 110.092 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.996 HG21 ' HG2' ' A' ' 59' ' ' ARG . 83.1 t -122.23 168.67 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.249 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.553 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -94.08 171.28 8.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mtmm -108.63 -0.21 20.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -106.09 -19.92 13.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.828 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -38.99 -71.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.464 ' HA3' ' CD1' ' A' ' 58' ' ' LEU . . . 165.38 -114.1 0.58 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.582 ' H ' HD12 ' A' ' 58' ' ' LEU . 1.3 t30 -97.33 177.2 5.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.82 -24.68 65.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.72 -39.25 54.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.582 HD12 ' H ' ' A' ' 55' ' ' ASN . 2.5 mt -73.19 -43.67 61.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.346 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.996 ' HG2' HG21 ' A' ' 49' ' ' VAL . 2.1 tmt_? -67.07 -12.95 61.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.342 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.492 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -87.05 -36.72 18.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.15 . . . . 0.0 109.355 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -37.19 64.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.973 HG21 ' HB2' ' A' ' 86' ' ' ALA . 12.8 mt -76.14 -26.65 17.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' ILE . 81.6 tttt -87.85 -59.48 2.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -49.12 -30.8 7.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.45 ' CB ' HD12 ' A' ' 98' ' ' ILE . . . -80.32 -26.51 38.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -79.96 -18.97 12.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -8.61 20.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.33 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -106.79 1.88 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.49 ' ND2' ' NE2' ' A' ' 73' ' ' HIS . 8.5 t-20 -117.94 -69.13 0.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.405 1.066 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 1.193 ' CD2' HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -38.79 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASN . 13.3 mmmt -51.14 -21.82 2.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.605 HG22 ' CD2' ' A' ' 73' ' ' HIS . 2.6 m -98.01 -42.24 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.257 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.756 ' ND1' HD21 ' A' ' 106' ' ' LEU . 10.6 m-70 -68.17 -17.19 64.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.198 . . . . 0.0 109.596 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' PHE . 6.4 tttp -70.78 -15.35 62.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.222 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 48.2 t -100.98 38.05 1.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.871 ' CE1' ' CE1' ' A' ' 112' ' ' PHE . 0.3 OUTLIER -169.4 -37.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.655 HD12 ' NE2' ' A' ' 76' ' ' HIS . 0.6 OUTLIER -45.71 138.85 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.773 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -113.94 179.53 3.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.559 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -52.84 130.54 33.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.232 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.628 ' O ' HG23 ' A' ' 82' ' ' ILE . 0.1 OUTLIER 159.34 112.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -67.97 93.31 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.315 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.075 HG21 HG11 ' A' ' 111' ' ' VAL . 1.1 pp -105.2 172.59 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.489 1.118 . . . . 0.0 109.362 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 1.075 HG22 HD11 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -171.38 114.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.042 ' C ' HD13 ' A' ' 85' ' ' ILE . 1.4 m -91.99 134.64 29.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.234 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.075 HD11 HG22 ' A' ' 83' ' ' ILE . 0.7 OUTLIER -119.31 149.7 21.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.358 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.973 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -90.59 103.64 16.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.484 ' HD2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -46.78 175.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.069 . . . . 0.0 110.238 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.536 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.5 OUTLIER -74.0 -48.87 6.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.4 Cg_endo -74.98 5.8 3.76 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.5 1.789 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 29' ' ' GLN . . . -76.32 -1.49 26.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.68 -15.65 57.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.32 13.36 28.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.487 ' HG2' ' N ' ' A' ' 94' ' ' THR . 10.5 ttp -101.99 146.85 27.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.487 ' N ' ' HG2' ' A' ' 93' ' ' MET . 1.7 p -104.77 148.31 26.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 110.377 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.2 m -49.47 -22.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.86 -40.56 91.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.59 -22.77 46.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.488 HG22 HD12 ' A' ' 102' ' ' LEU . 19.1 mt -60.11 -57.96 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -55.05 -33.5 62.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.267 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 47.7 m-20 -83.06 -8.04 59.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.214 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.466 ' CB ' ' ND2' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -96.62 -51.18 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.977 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.771 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.9 OUTLIER -53.27 -30.77 40.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.88 1.96 13.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.366 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.591 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.8 OUTLIER -123.29 -70.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.557 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 1.024 HG22 ' HB ' ' A' ' 32' ' ' VAL . 11.9 p -43.95 -57.72 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.421 1.076 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.771 HD23 ' O ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -65.86 -41.45 91.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.223 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.439 ' N ' ' HG ' ' A' ' 106' ' ' LEU . 0.0 OUTLIER -51.3 -42.13 60.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.17 . . . . 0.0 109.349 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 104' ' ' HIS . 14.9 mt -71.42 -37.94 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.229 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.068 ' HB2' HG11 ' A' ' 32' ' ' VAL . . . -42.58 -40.9 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.569 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 29.1 tttm 93.53 22.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.075 HG11 HG21 ' A' ' 82' ' ' ILE . 12.3 m -88.12 26.61 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.42 1.075 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.871 ' CE1' ' CE1' ' A' ' 76' ' ' HIS . 9.9 m-85 -114.6 122.06 45.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.773 ' N ' HD11 ' A' ' 78' ' ' LEU . 13.7 m-20 -40.68 -39.31 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.336 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -143.1 -79.45 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.15 58.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.418 HD12 ' ND1' ' A' ' 76' ' ' HIS . 1.1 mt -40.87 156.78 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.529 0.204 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.91 -51.11 10.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.805 HD13 ' H ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -159.49 149.74 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 109.277 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.805 ' H ' HD13 ' A' ' 3' ' ' LEU . 4.0 mm-40 -114.38 -133.03 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -63.35 -6.72 5.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.7 ' HA ' HD11 ' A' ' 3' ' ' LEU . . . 73.08 21.18 3.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.242 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.518 ' CB ' ' O ' ' A' ' 43' ' ' PHE . 6.8 m-85 64.84 23.26 12.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 111.042 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' ' N ' ' A' ' 10' ' ' LYS . 6.3 mtm-85 -72.68 117.53 14.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.873 HG13 HD11 ' A' ' 83' ' ' ILE . 5.8 mm -43.05 95.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.351 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 8' ' ' ARG . 4.4 mtpt -105.85 4.08 29.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.16 141.26 48.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 15' ' ' PHE . 1.2 m120 -60.93 -59.85 4.72 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -44.99 -54.93 6.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.368 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' CB ' HG23 ' A' ' 9' ' ' ILE . 75.8 m-20 -45.91 -33.66 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.833 ' CE1' HG21 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.38 -42.97 15.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.979 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 17' ' ' ARG . 1.3 pp0? -64.62 -29.86 70.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -60.09 -40.02 88.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 -179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.555 ' N ' HD13 ' A' ' 18' ' ' ILE . 3.4 mm -64.03 -67.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -44.55 -25.17 0.24 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -72.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.47 -46.02 2.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.78 108.74 0.14 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.607 ' CD2' ' O ' ' A' ' 23' ' ' HIS . 6.8 t-160 179.8 58.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 0.0 109.596 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.514 ' HB3' ' CD2' ' A' ' 33' ' ' TYR . 79.3 p -109.21 161.73 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 1.021 HG11 HG22 ' A' ' 108' ' ' ILE . 22.3 m -137.88 125.48 29.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB1' ' HD3' ' A' ' 87' ' ' ARG . . . -107.85 132.35 53.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.439 1.087 . . . . 0.0 109.246 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.535 ' CG ' ' HB ' ' A' ' 105' ' ' VAL . 11.8 p-10 -107.74 -145.23 0.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.524 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -35.52 -70.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.787 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -143.89 27.63 1.46 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.548 ' C ' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -132.69 151.62 51.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.466 ' HA ' ' HA ' ' A' ' 26' ' ' ALA . 1.2 m -135.53 142.89 38.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.976 HG12 HG12 ' A' ' 84' ' ' VAL . 12.1 m -127.26 133.27 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.521 ' HB3' HG21 ' A' ' 18' ' ' ILE . 18.0 m-85 -111.33 133.03 53.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 81' ' ' ASP . 34.2 p -137.19 176.66 8.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.17 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 75.46 108.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.301 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.5 ' HA ' HD13 ' A' ' 18' ' ' ILE . 13.8 p-10 -109.44 -47.99 3.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.371 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' CG ' ' N ' ' A' ' 38' ' ' LYS . 4.7 t30 162.97 -86.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' A' ' 37' ' ' ASN . 4.6 tttt -156.2 73.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -178.38 111.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.797 HD12 ' CD ' ' A' ' 44' ' ' ARG . 7.8 tp -142.34 159.02 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 109.353 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.614 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 1.4 p30 -132.78 42.84 3.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.614 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 2.9 m170 95.04 -37.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 109.583 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.628 ' CZ ' ' HG3' ' A' ' 74' ' ' LYS . 3.1 p90 175.1 165.16 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 111.046 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.797 ' CD ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -135.0 -174.7 3.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.315 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.057 HD11 ' CD1' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -168.15 105.99 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.364 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.467 ' O ' HD12 ' A' ' 47' ' ' ILE . . . -88.14 -69.99 1.28 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.632 HG23 HG21 ' A' ' 66' ' ' ILE . 1.2 mt 75.33 111.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.981 ' CB ' HG23 ' A' ' 85' ' ' ILE . 1.0 OUTLIER -134.83 168.49 18.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.718 HG11 ' HB2' ' A' ' 59' ' ' ARG . 3.1 t -159.81 148.21 6.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.3 t -93.82 159.43 15.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.898 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -94.3 -2.51 52.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -17.59 35.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 88' ' ' GLN . 2.3 mt -48.83 -66.57 0.38 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.545 ' N ' HD21 ' A' ' 58' ' ' LEU . . . 173.13 -99.68 0.14 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.442 1.089 . . . . 0.0 111.044 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.556 HD22 HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -102.98 -167.29 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.749 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.462 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -94.58 -22.27 18.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.556 HG12 HD22 ' A' ' 55' ' ' ASN . 3.7 p -62.14 -23.31 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.051 HD12 ' N ' ' A' ' 59' ' ' ARG . 1.7 pp -86.03 -36.92 19.43 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 1.051 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.41 -7.48 53.08 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 110.232 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.471 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -91.95 -28.58 17.16 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.538 1.149 . . . . 0.0 109.317 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.436 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -87.11 -33.08 19.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.8 HG21 ' HB2' ' A' ' 86' ' ' ALA . 37.2 mt -68.94 -36.38 73.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' C ' ' CD ' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -85.12 -40.26 16.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.471 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 11.1 ttt180 -56.31 -63.74 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB2' ' OG1' ' A' ' 95' ' ' THR . . . -55.43 -31.65 62.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 109.251 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.632 HG21 HG23 ' A' ' 47' ' ' ILE . 1.7 mt -57.28 -41.8 78.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 17.9 ttp85 -93.96 9.34 37.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.325 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -99.27 -17.15 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -115.74 -5.14 12.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 1.057 ' CD1' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -99.34 -31.58 11.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -9.46 41.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.92 -49.79 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.372 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.626 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 79.1 m-70 -79.33 -0.58 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.686 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.628 ' HG3' ' CZ ' ' A' ' 43' ' ' PHE . 1.5 ttpt -42.74 -37.78 1.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.51 -26.96 21.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.626 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 17.3 m-70 -67.05 -44.51 80.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.567 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.7 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -56.78 155.68 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.35 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.848 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -115.85 170.91 8.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.255 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.555 ' CA ' HG12 ' A' ' 40' ' ' ILE . . . -62.07 105.62 0.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.586 1.179 . . . . 0.0 109.324 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER 177.65 103.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.6 t70 -33.53 123.89 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.924 HD13 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -128.55 143.33 41.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 1.064 HG22 HD11 ' A' ' 85' ' ' ILE . 16.3 mt -156.63 110.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.506 1.129 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.037 ' C ' HD13 ' A' ' 85' ' ' ILE . 6.8 m -97.69 130.65 46.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.064 HD11 HG22 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -120.07 163.88 17.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.8 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -97.49 111.44 23.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.508 ' HD3' ' HB1' ' A' ' 26' ' ' ALA . 18.1 mmm180 -33.93 -73.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.604 ' O ' HD23 ' A' ' 53' ' ' LEU . 5.1 tp60 166.16 -46.69 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.03 4.97 4.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.367 1.719 . . . . 0.0 110.949 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.981 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -90.99 18.48 6.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.145 . . . . 0.0 109.378 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.513 ' HB3' ' CA ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -69.2 -8.74 48.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 109.303 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.64 31.39 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.426 1.079 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.981 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -88.41 -170.17 2.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 110.996 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 93' ' ' MET . 1.7 p -155.89 160.09 39.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.576 1.172 . . . . 0.0 110.362 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.568 ' OG1' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -52.76 -17.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.464 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.496 ' C ' HD13 ' A' ' 96' ' ' LEU . 2.9 tm? -80.81 -49.45 11.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.248 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -70.3 -33.39 71.48 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.452 1.095 . . . . 0.0 110.303 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.565 HG21 ' HB3' ' A' ' 65' ' ' ALA . 43.0 mt -58.33 -52.92 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -62.02 -37.8 86.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.425 1.078 . . . . 0.0 110.317 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -63.73 -31.47 72.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.5 m -69.35 -46.64 66.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.654 HD23 HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -53.77 -26.84 25.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.84 -2.3 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.51 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 0.9 OUTLIER -133.97 -75.02 0.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.093 . . . . 0.0 109.578 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 106' ' ' LEU . 5.2 p -36.64 -56.19 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 1.032 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -70.32 -39.31 74.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.365 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.726 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -53.25 -21.06 4.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.364 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 1.021 HG22 HG11 ' A' ' 25' ' ' VAL . 4.8 mt -91.64 -35.72 7.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.632 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -58.74 -38.24 77.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 81.48 27.8 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.285 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.032 HG22 HD13 ' A' ' 106' ' ' LEU . 6.2 m -91.3 24.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.726 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 2.0 p90 -137.85 116.96 12.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.719 ' N ' HD11 ' A' ' 78' ' ' LEU . 72.9 m-20 -40.05 -46.01 2.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 115' ' ' LYS . 6.9 ttmt 178.37 -89.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 109.226 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.422 ' N ' ' HG2' ' A' ' 114' ' ' LYS . 11.1 tttt -176.75 87.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.428 ' HB ' ' CE1' ' A' ' 76' ' ' HIS . 1.2 mt -64.61 144.23 14.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.8 tttm . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.481 0.182 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.88 -67.4 0.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.14 HD11 ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -62.69 -162.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.47 1.107 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.546 ' OE1' ' CE1' ' A' ' 42' ' ' HIS . 0.9 OUTLIER -119.75 -134.53 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.666 ' HE2' HD11 ' A' ' 40' ' ' ILE . 10.7 ptpp? -59.57 -7.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' C ' ' CG ' ' A' ' 7' ' ' TYR . . . 72.96 20.5 3.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 1.14 ' CZ ' HD11 ' A' ' 3' ' ' LEU . 0.5 OUTLIER 63.66 21.2 12.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.36 144.38 46.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 44' ' ' ARG . 1.1 mt -134.07 123.15 43.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 4.5 tttt -37.04 -36.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.587 ' HA ' ' CD1' ' A' ' 15' ' ' PHE . 0.0 OUTLIER 91.4 -13.05 0.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 56.1 m-20 -113.84 -95.54 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.18 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.54 -41.03 63.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 18' ' ' ILE . 3.7 m-20 -63.47 -25.54 68.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 109.298 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.684 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 0.5 OUTLIER -89.62 -38.2 14.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -65.82 -45.03 83.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.56 -21.77 7.16 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.468 ' N ' HD13 ' A' ' 18' ' ' ILE . 2.0 mm -84.67 -59.8 2.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.568 ' CD2' ' CE2' ' A' ' 33' ' ' TYR . 21.0 m-85 -61.59 -14.02 26.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -55.01 -79.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -127.42 12.93 7.04 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.559 1.162 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -65.25 -178.73 7.29 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.578 ' CD2' HG13 ' A' ' 25' ' ' VAL . 2.4 t-160 -118.11 109.57 16.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.632 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 33' ' ' TYR . 49.6 p -93.82 140.78 29.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.083 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.578 HG13 ' CD2' ' A' ' 23' ' ' HIS . 34.8 m -132.15 124.48 52.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.246 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -119.27 130.6 55.51 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.459 ' N ' HG23 ' A' ' 105' ' ' VAL . 19.2 t-20 -85.45 -94.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.433 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -111.61 -55.42 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.677 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -132.35 14.12 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.367 1.042 . . . . 0.0 110.303 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.574 ' HE2' HG23 ' A' ' 98' ' ' ILE . 1.4 t80 -123.63 145.12 49.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.477 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -137.13 114.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.582 1.176 . . . . 0.0 109.363 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 109' ' ' ALA . 27.0 m -113.4 114.35 46.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.548 1.155 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.568 ' CE2' ' CD2' ' A' ' 19' ' ' TYR . 5.5 m-85 -93.86 137.0 33.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.5 p -137.15 162.69 32.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.396 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 51.6 t -162.54 131.29 4.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.489 1.118 . . . . 0.0 108.269 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.31 86.34 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -54.55 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 109.244 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 60.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 51.04 93.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.016 HG23 ' HB1' ' A' ' 79' ' ' ALA . 0.9 OUTLIER -89.45 -135.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.837 ' C ' ' HB2' ' A' ' 79' ' ' ALA . 6.2 m-20 -176.66 -25.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.546 ' CE1' ' OE1' ' A' ' 4' ' ' GLU . 2.9 m-70 -124.43 135.93 53.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.616 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.812 ' CZ ' ' CE1' ' A' ' 7' ' ' TYR . 29.2 p90 -58.75 174.76 0.31 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.44 1.088 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.659 ' O ' HG22 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -131.88 163.39 28.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.293 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.671 HD11 ' CG ' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -152.78 98.03 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.59 1.181 . . . . 0.0 109.319 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.425 ' O ' ' HB ' ' A' ' 47' ' ' ILE . . . -91.83 -57.38 1.52 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.831 HG23 HG21 ' A' ' 66' ' ' ILE . 1.9 mp 74.35 111.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.508 0.769 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.502 ' OG ' ' CZ ' ' A' ' 15' ' ' PHE . 4.4 m -140.86 173.28 11.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 109.965 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.811 HG12 HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -129.47 -156.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.63 ' CB ' HD12 ' A' ' 53' ' ' LEU . 19.8 t -101.54 172.08 7.18 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 110.013 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.58 -3.27 55.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.74 -19.42 12.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.563 1.164 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.07 HD23 HD22 ' A' ' 58' ' ' LEU . 1.8 mt -79.6 -101.18 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 42.35 85.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.518 1.137 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.986 ' N ' HD11 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -156.5 -165.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 60' ' ' ASN . . . -116.57 -20.25 9.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 p -85.54 -32.41 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.07 HD22 HD23 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -88.16 -43.56 11.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.857 ' H ' HD12 ' A' ' 58' ' ' LEU . 15.6 mtp85 -66.26 -6.6 14.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.341 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.477 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.2 m-20 -95.15 -18.6 20.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.493 ' O ' ' CD1' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -115.27 -12.07 11.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.821 HD11 ' O ' ' A' ' 90' ' ' ALA . 51.9 mt -108.25 -31.33 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.539 ' CB ' ' O ' ' A' ' 59' ' ' ARG . 1.1 ttpp -97.47 -4.97 37.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.477 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 2.0 ttt85 -86.89 -50.76 6.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.698 ' HB2' HG23 ' A' ' 95' ' ' THR . . . -69.87 -16.83 63.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.831 HG21 HG23 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -79.31 -30.33 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 11.13 30.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -115.72 -0.63 12.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.234 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' O ' HG22 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -118.71 -61.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.271 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.671 ' CG ' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -50.21 -18.28 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -46.14 90.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.15 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 69' ' ' ASN . 3.1 m -81.73 -43.62 19.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.592 ' HB3' HD13 ' A' ' 77' ' ' ILE . 75.2 m-70 -72.39 -3.99 27.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.684 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -48.37 -27.04 2.34 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.2 t -102.42 -17.32 15.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.462 1.101 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 2.1 m170 -83.9 -14.87 49.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.61 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.592 HD13 ' HB3' ' A' ' 73' ' ' HIS . 1.7 mp -96.9 146.11 7.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 109.255 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.86 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.74 173.31 6.61 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.378 1.049 . . . . 0.0 109.257 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.016 ' HB1' HG23 ' A' ' 40' ' ' ILE . . . -53.26 122.96 10.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER 171.24 108.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' LYS . 1.2 t0 -39.98 105.39 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.998 HG12 HG11 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -103.98 144.89 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.944 HD13 ' O ' ' A' ' 82' ' ' ILE . 0.9 OUTLIER -144.67 83.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 84' ' ' VAL . 16.6 m -73.56 98.04 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.243 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 31' ' ' VAL . 0.5 OUTLIER -102.49 159.3 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.675 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -106.94 117.99 35.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.338 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.603 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -49.75 -170.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.496 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -82.76 -56.76 0.48 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.248 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.603 ' HD2' ' HB3' ' A' ' 87' ' ' ARG . 18.1 Cg_endo -75.07 10.51 1.71 Allowed 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.547 1.814 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.821 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -85.55 19.62 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -90.04 -38.22 13.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.08 25.59 2.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.543 ' HG2' ' N ' ' A' ' 94' ' ' THR . 10.1 ttp -99.84 152.72 19.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 111.008 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.543 ' N ' ' HG2' ' A' ' 93' ' ' MET . 7.9 p -110.9 146.17 37.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.414 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.698 HG23 ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -47.05 -22.6 0.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.38 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' ND2' ' A' ' 100' ' ' ASN . 1.8 tm? -65.39 -38.77 91.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.7 mt-30 -78.55 -30.51 46.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.693 HG21 ' HB3' ' A' ' 65' ' ' ALA . 97.2 mt -63.41 -56.89 14.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.154 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.489 ' NE2' HG22 ' A' ' 95' ' ' THR . 2.8 pt20 -56.73 -24.23 48.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 96' ' ' LEU . 50.9 m-20 -90.49 -15.45 30.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.84 -47.72 6.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.905 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.2 OUTLIER -52.7 -33.26 46.86 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -0.91 12.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.607 ' CD2' ' C ' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -128.02 -72.08 0.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 109.628 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.564 HG11 ' CD1' ' A' ' 30' ' ' PHE . 2.6 p -44.32 -50.07 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.91 HD12 ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -70.31 -39.42 74.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -52.79 -40.64 63.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.576 HD11 ' NE2' ' A' ' 104' ' ' HIS . 45.3 mt -74.18 -36.85 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -38.56 -30.88 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.51 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.1 OUTLIER 88.12 14.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.351 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.998 HG11 HG12 ' A' ' 82' ' ' ILE . 33.6 m -93.15 29.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 106' ' ' LEU . 1.2 m-85 -124.7 115.5 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.548 1.155 . . . . 0.0 111.025 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.86 ' N ' HD11 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -34.88 -63.38 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.84 -70.34 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 6.7 mtmt 177.35 74.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.553 HG21 ' CE1' ' A' ' 76' ' ' HIS . 0.6 OUTLIER -51.68 153.22 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.591 1.182 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtt . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.549 0.214 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.09 5.67 25.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.403 1.064 . . . . 0.0 109.222 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.021 HD13 ' N ' ' A' ' 4' ' ' GLU . 1.7 tm? -151.76 147.72 27.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 1.021 ' N ' HD13 ' A' ' 3' ' ' LEU . 1.9 mt-10 -155.32 -162.6 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 8' ' ' ARG . 63.0 pttt -65.0 -5.76 7.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.31 -43.91 33.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.65 ' CD2' ' CE1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -87.22 21.44 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 111.028 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -115.63 123.67 49.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.263 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.769 HD11 ' HB3' ' A' ' 44' ' ' ARG . 0.6 OUTLIER -88.83 -157.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.406 1.066 . . . . 0.0 109.238 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.655 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.2 OUTLIER 160.26 -27.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.367 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.67 153.44 27.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLN . 6.0 m-20 -79.69 -22.92 42.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.48 -53.02 60.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.564 ' HB3' HG21 ' A' ' 9' ' ' ILE . 6.6 m-20 -63.26 -28.65 70.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.696 ' CE2' HG21 ' A' ' 83' ' ' ILE . 1.6 m-85 -84.77 -19.27 32.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.072 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.8 OUTLIER -90.9 -46.2 8.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.295 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.58 -30.86 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.445 HG23 ' HB3' ' A' ' 35' ' ' CYS . 0.7 OUTLIER -82.84 -48.23 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.647 ' CZ ' ' CZ ' ' A' ' 33' ' ' TYR . 5.8 m-85 -67.99 -8.67 39.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.972 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -64.47 -83.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.365 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.96 13.57 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -59.31 -157.49 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.132 . . . . 0.0 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -136.93 93.33 2.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 0.78 . . . . 0.0 109.573 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.548 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 74.8 p -97.54 136.81 37.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.08 . . . . 0.0 110.056 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.917 HG11 HG22 ' A' ' 108' ' ' ILE . 17.7 m -103.97 -175.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -177.51 126.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.553 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 2.5 p30 -83.66 -89.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 5.8 ttm180 -122.51 -46.59 2.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.599 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.6 OUTLIER -138.14 18.72 2.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.093 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.775 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -137.61 131.56 31.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 25' ' ' VAL . 0.2 OUTLIER -130.7 128.59 63.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.046 HG12 HG12 ' A' ' 84' ' ' VAL . 17.5 m -116.21 105.8 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.647 ' CZ ' ' CZ ' ' A' ' 19' ' ' TYR . 7.9 m-85 -78.75 123.02 26.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.595 HG21 ' HB1' ' A' ' 109' ' ' ALA . 44.9 p -137.84 150.34 47.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.445 ' HB3' HG23 ' A' ' 18' ' ' ILE . 2.6 t 173.63 95.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 108.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.432 ' OD1' ' HA ' ' A' ' 80' ' ' LYS . 1.2 p-10 176.29 128.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.256 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.469 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 46.9 m-80 -67.65 -28.08 67.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' O ' ' CG ' ' A' ' 39' ' ' GLU . 0.4 OUTLIER 166.51 -110.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.483 ' CG ' ' O ' ' A' ' 38' ' ' LYS . 0.4 OUTLIER 70.34 6.13 5.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.777 HG13 ' HB1' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -135.93 -172.05 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.473 ' CA ' ' HB2' ' A' ' 79' ' ' ALA . 18.4 t0 -156.44 15.83 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.516 ' O ' ' HB3' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -133.09 -101.5 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.551 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.65 ' CE1' ' CD2' ' A' ' 7' ' ' TYR . 32.9 p90 168.88 110.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.942 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.769 ' HB3' HD11 ' A' ' 9' ' ' ILE . 40.0 mtt-85 -65.66 84.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.242 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' HG ' ' CZ ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -77.31 98.63 5.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.59 138.99 15.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.705 HG12 HD13 ' A' ' 66' ' ' ILE . 5.0 mt -120.31 128.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 0.782 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.468 ' C ' HG23 ' A' ' 49' ' ' VAL . 1.4 m -136.21 167.12 21.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.776 ' CG1' HD13 ' A' ' 53' ' ' LEU . 39.5 t -154.48 173.05 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.594 ' N ' HG12 ' A' ' 49' ' ' VAL . 30.1 t -93.02 162.5 14.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.493 1.12 . . . . 0.0 110.054 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -99.23 1.62 44.94 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -107.51 -17.35 14.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.066 HD22 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -39.98 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.691 ' CA ' HD21 ' A' ' 58' ' ' LEU . . . 174.25 -114.36 0.5 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.482 1.114 . . . . 0.0 111.041 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.58 ' CG ' HG12 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -92.9 -172.31 2.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 0.739 . . . . 0.0 109.287 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.65 -24.5 27.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.373 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.58 HG12 ' CG ' ' A' ' 55' ' ' ASN . 4.2 p -57.66 -40.74 76.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.066 HD13 HD22 ' A' ' 53' ' ' LEU . 0.9 OUTLIER -73.95 -28.69 61.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.989 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -77.74 -11.55 59.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.49 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 0.8 OUTLIER -90.67 -36.38 14.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.415 1.072 . . . . 0.0 109.285 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HA ' ' CG ' ' A' ' 64' ' ' ARG . 2.4 tttp -75.79 -10.34 59.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.073 HG21 ' HB2' ' A' ' 86' ' ' ALA . 66.2 mt -98.12 -32.22 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.676 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -89.91 -35.65 15.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.49 ' HB3' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -68.46 -33.76 74.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 1.007 ' HB2' ' OG1' ' A' ' 95' ' ' THR . . . -59.67 -42.34 92.65 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.705 HD13 HG12 ' A' ' 47' ' ' ILE . 21.3 mt -56.32 -45.89 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -2.94 22.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -23.58 14.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.236 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.55 ' O ' HG22 ' A' ' 72' ' ' VAL . 1.1 t30 -108.83 -61.19 1.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.56 ' CE1' HG12 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -53.23 -17.93 2.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.946 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.441 ' HD3' ' CG1' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -64.85 -51.17 63.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.55 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.2 m -74.54 -40.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.188 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.582 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 89.2 m-70 -77.05 0.54 20.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.62 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -52.92 -45.06 67.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -85.15 10.58 11.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.587 1.179 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.582 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 0.7 OUTLIER -113.24 -30.28 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.626 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.56 HG12 ' CE1' ' A' ' 70' ' ' PHE . 1.6 mp -75.99 153.56 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.755 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -122.46 174.55 6.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.777 ' HB1' HG13 ' A' ' 40' ' ' ILE . . . -59.78 136.45 58.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.613 ' O ' HG22 ' A' ' 82' ' ' ILE . 1.3 mtpm? 161.96 127.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -63.61 97.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.89 HD11 HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -115.76 152.75 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.696 HG21 ' CE2' ' A' ' 15' ' ' PHE . 22.6 mt -152.45 106.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.046 HG12 HG12 ' A' ' 32' ' ' VAL . 2.0 m -92.16 127.07 44.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.236 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.541 ' HB ' HG13 ' A' ' 31' ' ' VAL . 2.5 mp -115.09 167.97 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.235 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.073 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -90.75 42.01 1.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.523 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 18.5 tpt180 33.97 -92.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -169.84 -56.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.523 ' HD2' ' CG ' ' A' ' 87' ' ' ARG . 18.1 Cg_endo -75.01 6.94 3.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.545 1.813 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.99 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -78.02 42.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.723 ' CB ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -120.41 -0.2 10.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -122.9 12.28 9.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.559 ' HE3' ' HB1' ' A' ' 90' ' ' ALA . 0.1 OUTLIER -117.22 161.43 19.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 111.033 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 97' ' ' GLN . 7.4 p -112.83 157.45 21.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.391 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 1.007 ' OG1' ' HB2' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -47.44 -21.34 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.41 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -72.5 -39.97 67.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.432 1.082 . . . . 0.0 109.298 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 94' ' ' THR . 24.2 mt-30 -81.91 -34.66 29.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.629 HG22 ' HA ' ' A' ' 95' ' ' THR . 2.0 tt -66.29 -42.9 91.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 95' ' ' THR . 3.2 pt20 -71.09 -28.94 64.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -73.32 -20.8 60.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.374 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.436 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -103.35 -23.55 13.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.109 . . . . 0.0 109.916 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.668 HD23 ' HB3' ' A' ' 106' ' ' LEU . 1.6 tt -57.43 -33.5 67.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.38 1.9 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.576 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 0.3 OUTLIER -115.15 -70.54 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.469 1.106 . . . . 0.0 109.566 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.775 HG21 ' O ' ' A' ' 30' ' ' PHE . 4.8 p -43.89 -49.89 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.68 HD21 ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -67.44 -39.32 85.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -23.77 58.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 109.348 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.917 HG22 HG11 ' A' ' 25' ' ' VAL . 3.2 mt -90.7 -21.01 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.825 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -64.27 -26.96 68.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.404 1.065 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.8 mmtt 80.9 17.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.667 HG22 HD12 ' A' ' 106' ' ' LEU . 6.5 m -91.1 26.74 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.68 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -128.05 118.75 24.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.567 1.167 . . . . 0.0 110.976 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.684 ' N ' HD11 ' A' ' 78' ' ' LEU . 69.6 m-80 -37.89 -33.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 112' ' ' PHE . 0.3 OUTLIER 178.3 -80.18 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 109.277 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 tttm 179.91 87.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -56.43 158.91 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.604 1.19 . . . . 0.0 109.271 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.486 0.184 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.27 -97.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.032 HD11 ' CD2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -104.55 -173.24 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.801 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -128.41 -164.17 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.322 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -97.04 -4.66 39.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.5 -28.45 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 1.032 ' CD2' HD11 ' A' ' 3' ' ' LEU . 5.2 m-30 -99.22 19.55 15.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.71 132.77 34.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.45 ' C ' ' N ' ' A' ' 11' ' ' LYS . 5.1 mt -105.5 114.83 45.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 0.3 OUTLIER -39.57 -29.99 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 91.07 -9.84 0.27 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.206 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 16' ' ' GLN . 4.7 m-20 -121.54 -89.48 0.6 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 109.317 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.41 -47.92 62.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.599 ' O ' HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -58.81 -23.33 60.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.669 ' CZ ' ' CG2' ' A' ' 83' ' ' ILE . 0.6 OUTLIER -94.0 -33.44 13.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.971 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 12' ' ' ASN . 4.9 pt20 -68.68 -41.87 78.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.278 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.474 ' C ' HD13 ' A' ' 18' ' ' ILE . 86.0 mtt180 -59.14 -22.92 61.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.803 ' N ' HD13 ' A' ' 18' ' ' ILE . 0.7 OUTLIER -82.15 -59.69 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.605 ' CD1' ' CE2' ' A' ' 33' ' ' TYR . 9.4 m-85 -60.42 -13.54 13.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -86.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 -15.95 14.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.426 ' HA2' ' CB ' ' A' ' 35' ' ' CYS . . . -42.31 165.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 23' ' ' HIS . 8.1 p-80 -115.69 106.86 14.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 109.607 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.652 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 16.5 p -89.99 141.6 28.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.986 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.663 HG22 HG23 ' A' ' 32' ' ' VAL . 3.8 m -128.63 151.72 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.777 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -141.1 139.17 33.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.653 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 9.1 p30 -89.65 -81.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.653 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -123.08 -49.71 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.352 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 2.9 pm0 -140.09 9.82 2.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.342 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.787 ' CZ ' HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -131.75 136.15 47.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 111.029 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.777 HG12 ' CB ' ' A' ' 26' ' ' ALA . 1.0 OUTLIER -124.14 148.88 28.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.014 HG12 HG12 ' A' ' 84' ' ' VAL . 15.4 m -130.86 113.49 24.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.652 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 5.0 m-85 -87.23 118.07 26.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.667 HG21 ' HB1' ' A' ' 109' ' ' ALA . 12.1 p -141.8 155.22 45.59 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 36' ' ' ASN . 44.9 t 178.89 -76.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 108.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 35' ' ' CYS . 1.0 OUTLIER -37.22 99.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 35' ' ' CYS . 40.2 t30 -139.18 -54.24 0.58 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.501 1.126 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.87 -38.93 80.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.01 39.73 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.284 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.675 HG23 ' N ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -165.13 -135.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.646 1.216 . . . . 0.0 109.257 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.778 ' C ' ' HB2' ' A' ' 79' ' ' ALA . 6.0 p-10 160.43 -18.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.447 ' NE2' ' OD1' ' A' ' 41' ' ' ASP . 0.0 OUTLIER -123.76 115.78 21.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.454 1.096 . . . . 0.0 109.547 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.758 ' CZ ' ' CD2' ' A' ' 7' ' ' TYR . 45.1 p90 -54.84 -166.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.549 1.156 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.434 ' HB2' HG13 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 179.06 126.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.078 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -99.1 138.43 36.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -127.19 -46.87 0.19 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.556 HG13 HD23 ' A' ' 45' ' ' LEU . 1.8 mt 71.75 139.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.538 0.787 . . . . 0.0 109.286 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.658 ' HB3' HG23 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -148.98 140.73 23.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.724 HG13 HD12 ' A' ' 53' ' ' LEU . 2.0 t -146.66 159.6 10.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 23.9 t -93.38 160.16 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 110.015 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 2.92 37.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -100.13 -14.84 18.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.834 HD22 ' HB3' ' A' ' 91' ' ' LYS . 28.1 mt -43.71 -68.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.623 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 179.51 -116.84 0.54 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.544 1.152 . . . . 0.0 110.955 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -174.34 4.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HA ' ' CG ' ' A' ' 59' ' ' ARG . . . -88.98 -22.73 22.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.594 1.184 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.5 p -61.13 -29.26 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.039 HD12 ' N ' ' A' ' 59' ' ' ARG . 2.7 pp -88.38 -39.57 14.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 1.039 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -73.11 -5.33 38.38 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 1.0 OUTLIER -94.13 -34.67 12.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.257 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -36.12 60.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.838 ' O ' HD13 ' A' ' 66' ' ' ILE . 85.3 mt -64.07 -32.56 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -92.01 -48.03 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 7.3 ttt180 -50.45 -68.56 0.16 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.695 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -52.43 -25.72 10.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.838 HD13 ' O ' ' A' ' 62' ' ' ILE . 1.0 OUTLIER -68.13 -39.54 81.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.309 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.88 4.15 50.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.145 . . . . 0.0 110.233 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -112.44 -4.7 14.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.421 ' HB2' ' OE1' ' A' ' 99' ' ' GLN . 2.5 t30 -120.75 -3.99 9.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 1.078 ' CE2' HD21 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -98.8 -33.27 10.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.976 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -53.37 -23.07 8.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.203 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.416 HG23 ' CD2' ' A' ' 73' ' ' HIS . 19.5 m -91.99 -39.25 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.593 1.183 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.798 ' CE1' HD21 ' A' ' 106' ' ' LEU . 24.2 m-70 -74.59 -12.36 60.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.562 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -75.41 -6.56 50.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.2 -11.47 26.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.605 ' HE2' ' CG ' ' A' ' 73' ' ' HIS . 0.8 OUTLIER -134.36 17.82 3.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.568 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.722 ' CG2' ' CD1' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -80.93 142.51 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.584 1.177 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 1.023 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.55 156.41 40.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 109.339 179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.778 ' HB2' ' C ' ' A' ' 41' ' ' ASP . . . -39.27 114.8 0.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 82' ' ' ILE . 0.0 OUTLIER 172.4 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.504 ' O ' HG22 ' A' ' 34' ' ' THR . 0.4 OUTLIER -34.42 96.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.927 HD13 HG11 ' A' ' 111' ' ' VAL . 0.5 OUTLIER -87.93 113.25 24.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.669 ' CG2' ' CZ ' ' A' ' 15' ' ' PHE . 0.8 OUTLIER -140.51 98.22 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.014 HG12 HG12 ' A' ' 32' ' ' VAL . 3.8 m -90.94 114.76 28.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.658 HG23 ' HB3' ' A' ' 48' ' ' SER . 2.1 mp -102.46 149.3 7.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 109.365 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.781 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -94.69 118.21 31.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 109.305 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' A' ' 86' ' ' ALA . 2.1 tpt180 -59.24 -146.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.527 ' CB ' ' HD3' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -86.85 -58.92 0.28 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.337 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.527 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.5 Cg_endo -74.96 6.54 3.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.797 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.668 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -62.73 -13.95 38.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.372 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.834 ' HB3' HD22 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -83.52 -25.04 31.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.418 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 7.2 m-20 -81.44 -5.47 57.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.239 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.593 ' O ' HG23 ' A' ' 94' ' ' THR . 0.0 OUTLIER -74.89 -172.84 1.72 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.999 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.652 ' O ' HD12 ' A' ' 98' ' ' ILE . 1.5 p -156.84 160.99 39.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.372 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 99' ' ' GLN . 1.3 m -49.06 -17.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.555 1.159 . . . . 0.0 110.431 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 96' ' ' LEU . 3.0 tm? -83.0 -45.9 13.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.42 ' C ' ' N ' ' A' ' 99' ' ' GLN . 36.3 mt-30 -72.49 -40.75 66.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.695 HG21 ' HB3' ' A' ' 65' ' ' ALA . 1.0 OUTLIER -44.91 -25.71 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.421 ' OE1' ' HB2' ' A' ' 69' ' ' ASN . 4.1 mm100 -88.12 -43.3 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -67.01 -9.77 42.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.404 ' CB ' HD21 ' A' ' 27' ' ' ASN . 0.5 OUTLIER -89.73 -66.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.001 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.781 ' HB3' HD23 ' A' ' 106' ' ' LEU . 0.3 OUTLIER -45.21 -44.82 11.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -47.41 -27.17 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.845 ' NE2' HD11 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -111.21 -75.82 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.523 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.716 HG22 HG22 ' A' ' 32' ' ' VAL . 7.9 p -36.86 -54.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 1.033 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -63.16 -45.3 92.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.655 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 6.0 tmtt? -49.52 -26.2 3.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.241 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.845 HD11 ' NE2' ' A' ' 104' ' ' HIS . 16.7 mt -85.45 -39.19 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.901 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -53.69 -39.78 65.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.511 ' O ' HD21 ' A' ' 78' ' ' LEU . 3.1 tttm 82.88 31.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.033 HG22 HD13 ' A' ' 106' ' ' LEU . 11.4 m -88.93 20.95 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.721 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -158.3 137.54 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 110.961 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.636 ' H ' ' ND2' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -92.94 -39.91 10.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.556 ' HB3' ' CD1' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -46.21 -18.49 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.29 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.694 ' HA ' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 40.82 60.22 2.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 114' ' ' LYS . 1.2 mp -39.51 145.78 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.7 tttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 109.249 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' ' HB3' ' A' ' 2' ' ' LEU . 2.7 ptt? . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.483 0.182 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.638 ' N ' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -177.37 168.03 2.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.663 HD11 ' CE2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -158.51 -159.13 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.301 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.515 ' H ' HD12 ' A' ' 3' ' ' LEU . 29.0 tt0 72.95 -106.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.338 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 8' ' ' ARG . 16.1 ptpt -76.4 -3.82 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.43 ' HB3' ' HA ' ' A' ' 3' ' ' LEU . . . -67.6 -50.17 59.49 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.663 ' CE2' HD11 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -110.54 42.81 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 111.032 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.433 ' N ' ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -76.18 172.72 12.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.33 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.849 HG21 HD11 ' A' ' 83' ' ' ILE . 2.3 mm -124.47 70.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 -19.83 14.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -87.89 115.96 25.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.6 OUTLIER -42.56 -43.69 3.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -49.92 -43.43 49.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' LYS . 31.5 m-20 -57.02 -26.84 60.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.592 ' CD2' HG22 ' A' ' 9' ' ' ILE . 1.8 m-85 -94.46 -37.12 11.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.433 1.083 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.58 -38.32 70.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -22.53 47.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.583 HD12 ' HB2' ' A' ' 81' ' ' ASP . 1.5 mm -87.09 -54.33 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.527 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 4.7 m-85 -64.38 -12.79 46.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.413 1.07 . . . . 0.0 110.994 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -59.59 -82.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.26 12.68 7.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.351 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.34 173.73 3.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.162 . . . . 0.0 110.986 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.526 ' CD2' HG13 ' A' ' 25' ' ' VAL . 23.3 t60 -117.67 107.34 14.09 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.57 0.806 . . . . 0.0 109.626 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.632 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 73.1 p -94.7 139.7 30.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.818 HG11 HG22 ' A' ' 108' ' ' ILE . 34.1 m -130.32 127.98 63.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -122.12 132.5 54.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.613 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 2.6 p-10 -85.61 -81.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.613 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -122.41 -53.85 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.525 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -129.51 -2.68 4.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.15 . . . . 0.0 110.327 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.528 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -105.55 146.01 30.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.946 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -139.62 105.18 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.688 HG21 ' HB2' ' A' ' 109' ' ' ALA . 23.0 m -102.38 132.34 48.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.65 ' CD1' ' CD1' ' A' ' 85' ' ' ILE . 3.1 m-85 -105.16 149.57 25.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.811 HG22 HG22 ' A' ' 82' ' ' ILE . 3.9 p -149.79 163.57 37.64 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 110.443 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 81' ' ' ASP . 39.2 t -177.98 153.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 108.261 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.416 ' O ' ' HB2' ' A' ' 37' ' ' ASN . 6.5 p-10 173.13 144.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 36' ' ' ASN . 39.8 t30 172.75 46.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.36 -78.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -167.57 130.03 1.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 1.048 ' CG2' ' HB1' ' A' ' 79' ' ' ALA . 5.8 tp -111.72 163.91 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 3.0 p-10 -107.4 43.2 1.21 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.59 ' H ' HG23 ' A' ' 40' ' ' ILE . 0.1 OUTLIER 86.19 151.04 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.555 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 36.8 p90 -46.9 86.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.552 ' N ' ' O ' ' A' ' 42' ' ' HIS . 0.5 OUTLIER -75.86 91.24 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.891 HD11 ' CD2' ' A' ' 70' ' ' PHE . 1.7 mt -78.21 138.39 38.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.665 ' O ' HD12 ' A' ' 47' ' ' ILE . . . -118.58 -141.51 6.66 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 46' ' ' GLY . 0.7 OUTLIER -167.81 122.2 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.401 0.706 . . . . 0.0 109.29 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.973 ' CB ' HG23 ' A' ' 85' ' ' ILE . 54.2 m -140.84 138.11 33.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.981 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 50' ' ' SER . 55.5 t -152.56 168.86 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.609 ' HB3' HD12 ' A' ' 53' ' ' LEU . 29.6 t -90.3 160.7 16.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.12 -7.11 23.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.74 -14.23 26.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.753 HD11 ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -45.92 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.842 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . -168.96 -114.58 0.3 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.16 -179.91 4.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 0.778 . . . . 0.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.487 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -67.54 -22.45 65.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.245 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 p -68.7 -28.93 41.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.247 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.842 HD12 ' HA3' ' A' ' 54' ' ' GLY . 12.9 mt -70.91 -47.14 60.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.542 ' CB ' HG11 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -79.25 -0.07 30.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.534 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.7 m-20 -100.39 -31.0 11.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.433 1.083 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.13 -16.7 34.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.392 1.057 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.001 HD11 ' O ' ' A' ' 90' ' ' ALA . 26.1 mt -88.01 -32.96 6.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' CG ' HG12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -93.22 -16.2 25.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.369 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 6.5 ttt180 -79.41 -60.94 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.266 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.706 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -40.8 -52.32 3.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.282 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.778 HG13 HG11 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -53.52 -44.46 56.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 109.339 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ARG . 9.0 mtp-105 -68.58 -7.35 31.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.303 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -109.83 -13.29 14.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.417 ' O ' HG22 ' A' ' 72' ' ' VAL . 13.4 t-20 -96.03 -55.48 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.891 ' CD2' HD11 ' A' ' 45' ' ' LEU . 2.0 m-85 -60.27 -11.77 7.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.925 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.04 -47.4 86.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.461 ' CG2' ' CD2' ' A' ' 73' ' ' HIS . 2.7 m -74.93 -42.74 46.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.595 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 74.9 m-70 -78.4 6.42 8.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 109.603 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 70' ' ' PHE . 0.7 OUTLIER -55.41 -43.16 75.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.64 -0.25 54.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.965 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.595 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 0.7 OUTLIER -102.07 -24.33 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.408 1.067 . . . . 0.0 109.59 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.616 ' CG2' ' CB ' ' A' ' 43' ' ' PHE . 1.7 mp -82.63 142.07 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.906 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -109.69 169.33 8.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 1.048 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -61.33 129.71 42.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.752 ' N ' HG21 ' A' ' 40' ' ' ILE . 9.8 mttt 167.77 118.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.248 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.792 ' OD1' HD13 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -51.25 112.1 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.381 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 1.04 HG21 ' CG1' ' A' ' 111' ' ' VAL . 1.6 pp -128.59 -169.41 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.849 HD11 HG21 ' A' ' 9' ' ' ILE . 0.2 OUTLIER 173.41 130.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.778 HG11 HG13 ' A' ' 66' ' ' ILE . 16.9 m -98.52 108.37 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 109.215 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.973 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.7 OUTLIER -111.08 147.36 15.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.768 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -97.88 124.13 42.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.576 ' O ' ' O ' ' A' ' 86' ' ' ALA . 21.6 mmm180 -47.42 -171.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.118 . . . . 0.0 110.266 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.516 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.8 OUTLIER -56.32 -50.83 85.37 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.538 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 -97.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.001 ' O ' HD11 ' A' ' 62' ' ' ILE . . . 60.08 5.18 0.73 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.498 ' HB3' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -96.08 -36.18 11.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 109.283 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -80.67 -0.4 38.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.525 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 6.3 ttp -101.24 140.23 35.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 97' ' ' GLN . 10.9 p -107.23 151.81 24.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.392 1.057 . . . . 0.0 110.377 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.87 ' HA ' HD12 ' A' ' 98' ' ' ILE . 0.9 OUTLIER -47.64 -23.98 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 110.375 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.6 -38.71 90.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 94' ' ' THR . 20.5 mt-30 -83.85 -17.49 40.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 95' ' ' THR . 81.9 mt -69.55 -58.04 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.27 -16.17 13.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -100.28 -18.02 17.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.5 m -91.83 -41.19 10.78 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.793 ' O ' HD23 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -52.86 -23.9 7.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.62 1.44 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.523 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 0.7 OUTLIER -126.26 -75.26 0.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 109.601 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.559 HG22 HG22 ' A' ' 32' ' ' VAL . 4.3 p -42.19 -52.65 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.814 HD12 ' CG2' ' A' ' 111' ' ' VAL . 0.1 OUTLIER -67.04 -39.75 87.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 6.1 pttt -56.22 -35.19 67.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.818 HG22 HG11 ' A' ' 25' ' ' VAL . 14.0 mt -79.84 -26.73 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.11 . . . . 0.0 109.235 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' A' ' 32' ' ' VAL . . . -49.91 -34.57 20.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 15.6 tttm 88.11 20.43 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.04 ' CG1' HG21 ' A' ' 82' ' ' ILE . 21.9 m -90.84 26.45 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CD2' ' HG3' ' A' ' 115' ' ' LYS . 1.5 m-85 -127.2 125.38 40.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.598 ' CG ' HD12 ' A' ' 78' ' ' LEU . 69.2 m-80 -53.59 -30.22 41.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.584 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -155.75 -43.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.524 1.14 . . . . 0.0 109.35 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.584 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 0.1 OUTLIER 95.77 87.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.38 146.66 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.235 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.1 mtp . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.565 0.222 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.755 HD11 ' HB3' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -123.0 135.79 54.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.785 HD22 ' HB3' ' A' ' 42' ' ' HIS . 0.2 OUTLIER 70.88 -157.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.242 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.493 ' H ' ' CD1' ' A' ' 3' ' ' LEU . 44.1 tt0 78.78 -116.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.237 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -59.47 -7.26 1.32 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.363 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.897 ' HB1' ' CG ' ' A' ' 42' ' ' HIS . . . -65.59 -45.75 82.06 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.652 ' CE1' HD11 ' A' ' 3' ' ' LEU . 22.4 m-85 -34.64 -41.89 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.44 ' O ' ' O ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -80.45 150.88 29.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.726 HD13 ' HB3' ' A' ' 44' ' ' ARG . 18.4 mm -61.05 102.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 9' ' ' ILE . 1.2 tptp -39.34 -44.96 1.38 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 109.283 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -161.99 159.31 26.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' PHE . 3.2 t-20 -45.67 -40.46 9.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' GLN . . . -40.54 -65.79 0.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.37 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.519 ' HB2' HG23 ' A' ' 9' ' ' ILE . 1.8 m-20 -40.42 -37.43 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 1.185 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -78.61 -41.61 31.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 111.054 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 4.7 pt20 -66.69 -44.32 82.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.503 ' CG ' ' OD1' ' A' ' 37' ' ' ASN . 2.9 mpt_? -50.88 -24.17 3.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.663 HD12 HD12 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.96 -50.09 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.083 . . . . 0.0 109.254 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -64.43 -13.13 49.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.51 1.131 . . . . 0.0 110.972 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -78.34 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -127.53 11.41 6.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 109.239 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.36 167.05 0.44 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.479 1.112 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -122.7 106.85 11.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.554 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.662 ' CB ' ' CD1' ' A' ' 33' ' ' TYR . 51.6 p -105.36 164.42 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 110.049 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.834 HG11 HG22 ' A' ' 108' ' ' ILE . 24.4 m -137.94 128.45 36.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.53 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -114.36 131.47 56.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.636 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 6.2 p30 -85.03 -89.92 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.359 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.636 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 3.4 mmt85 -115.66 -45.74 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.725 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 7.6 mt-30 -144.99 14.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.352 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.596 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -134.09 134.29 42.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.58 HG23 HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -123.32 149.07 27.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.07 HG12 HG12 ' A' ' 84' ' ' VAL . 14.0 m -132.63 106.32 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.662 ' CD1' ' CB ' ' A' ' 24' ' ' SER . 4.2 m-85 -80.32 123.01 27.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.107 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.583 HG21 ' HB1' ' A' ' 109' ' ' ALA . 65.1 p -139.73 154.17 47.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.424 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.6 t -178.97 160.09 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.243 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -104.98 112.06 25.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' OD1' ' CG ' ' A' ' 17' ' ' ARG . 27.6 m-80 -73.75 -90.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.083 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -119.66 30.78 6.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 67.58 76.8 0.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.567 1.167 . . . . 0.0 110.345 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.674 HD11 ' NE2' ' A' ' 42' ' ' HIS . 1.3 tt -77.83 -179.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.755 ' HB3' HD11 ' A' ' 2' ' ' LEU . 25.3 m-20 -125.82 10.08 7.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.897 ' CG ' ' HB1' ' A' ' 6' ' ' ALA . 1.8 p-80 -146.89 152.92 39.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.548 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.639 ' N ' ' HA ' ' A' ' 79' ' ' ALA . 12.9 p90 -103.39 107.51 18.37 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.454 1.096 . . . . 0.0 111.057 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.726 ' HB3' HD13 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -66.79 95.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -77.46 92.2 3.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.89 -177.18 36.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.413 1.071 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.621 ' CG1' HG21 ' A' ' 66' ' ' ILE . 1.6 mp -145.95 131.76 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.549 0.794 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.763 ' HB3' HG23 ' A' ' 85' ' ' ILE . 13.6 m -133.88 130.22 37.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.97 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.482 ' CG1' ' N ' ' A' ' 50' ' ' SER . 2.5 t -115.04 162.13 13.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 0.3 OUTLIER -95.32 169.45 10.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.03 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.89 -0.18 13.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.4 OUTLIER -108.71 -18.84 13.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.785 ' CD2' HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -38.66 -69.53 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.749 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 170.82 -109.76 0.33 Allowed Glycine 0 CA--C 1.528 0.891 0 O-C-N 124.492 1.12 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.733 HD22 HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -91.49 -156.69 0.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.423 0.719 . . . . 0.0 109.26 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.484 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -105.37 -19.73 13.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.733 HG12 HD22 ' A' ' 55' ' ' ASN . 2.8 p -70.32 -25.88 28.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.922 HD12 ' N ' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -85.77 -25.19 26.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.422 1.076 . . . . 0.0 109.235 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.922 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -87.89 -11.01 48.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.263 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.75 -31.4 20.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.292 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.11 -33.06 38.99 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.787 HG21 ' CB ' ' A' ' 86' ' ' ALA . 47.5 mt -72.51 -40.73 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.786 ' HA ' HD12 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -77.69 -26.21 50.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -72.28 -50.49 26.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.354 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.998 ' HB1' HG21 ' A' ' 98' ' ' ILE . . . -63.68 -20.2 65.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 63' ' ' LYS . 6.8 mt -64.68 -36.91 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.403 1.064 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -100.13 10.54 41.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.9 -3.38 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 110.345 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.56 ' O ' HG22 ' A' ' 72' ' ' VAL . 9.8 t-20 -121.92 -39.92 2.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.911 ' CE2' HG11 ' A' ' 84' ' ' VAL . 3.7 m-85 -73.67 5.63 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.59 2.52 28.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.661 HG22 ' CD2' ' A' ' 73' ' ' HIS . 1.4 m -108.0 -51.58 7.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.661 ' CD2' HG22 ' A' ' 72' ' ' VAL . 0.5 OUTLIER -85.39 8.85 17.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.573 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -68.81 -9.13 49.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.47 -39.18 17.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -103.48 26.02 8.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.59 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -104.14 140.65 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.801 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -110.35 176.26 5.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.639 ' HA ' ' N ' ' A' ' 43' ' ' PHE . . . -59.52 -154.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.537 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER 90.72 116.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.458 ' HB2' HD11 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -46.97 121.57 3.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.198 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.572 ' C ' HD13 ' A' ' 82' ' ' ILE . 0.0 OUTLIER -127.12 136.87 59.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 1.185 HD13 ' CE1' ' A' ' 15' ' ' PHE . 96.7 mt -146.46 108.39 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.07 HG12 HG12 ' A' ' 32' ' ' VAL . 3.5 m -93.67 110.91 24.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.763 HG23 ' HB3' ' A' ' 48' ' ' SER . 0.9 OUTLIER -102.79 144.17 14.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.787 ' CB ' HG21 ' A' ' 62' ' ' ILE . . . -89.99 115.21 27.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.542 ' O ' HD12 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -54.76 -164.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 110.292 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -81.11 -54.17 0.73 Allowed Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 87' ' ' ARG . 18.0 Cg_endo -75.08 3.84 5.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.43 1.753 . . . . 0.0 110.939 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 29' ' ' GLN . . . -60.19 -15.73 26.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -56.78 17.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.574 1.171 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.45 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 5.1 m-20 -47.58 -30.66 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.566 ' CG ' ' HB2' ' A' ' 97' ' ' GLN . 0.6 OUTLIER -85.43 128.21 34.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.942 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 98' ' ' ILE . 12.9 p -118.74 -171.46 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.395 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.682 ' OG1' ' HB2' ' A' ' 65' ' ' ALA . 1.3 m -54.43 -15.21 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -91.05 -45.45 8.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.566 ' HB2' ' CG ' ' A' ' 93' ' ' MET . 33.8 mt-30 -78.47 -13.07 60.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.317 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.998 HG21 ' HB1' ' A' ' 65' ' ' ALA . 0.1 OUTLIER -64.7 -54.88 24.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.521 ' N ' HG22 ' A' ' 98' ' ' ILE . 8.7 mt-30 -55.52 -18.34 7.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -89.88 -17.9 27.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.435 ' OG ' ' ND2' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -98.31 -51.91 3.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.977 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -53.9 -26.2 23.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.82 0.82 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.212 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.493 ' CD2' ' HB3' ' A' ' 27' ' ' ASN . 1.2 t-160 -128.12 -75.96 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.893 HG22 HG22 ' A' ' 32' ' ' VAL . 6.2 p -39.02 -55.45 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.946 HD13 ' CG2' ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.82 -40.44 88.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.692 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 12.7 tttt -57.12 -17.46 10.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.834 HG22 HG11 ' A' ' 25' ' ' VAL . 2.6 mt -95.8 -39.19 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.692 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -50.36 -40.17 48.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 78.5 33.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.946 ' CG2' HD13 ' A' ' 106' ' ' LEU . 16.0 m -81.27 4.25 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.692 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 2.9 p90 -129.03 122.92 31.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.061 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.724 ' N ' HD11 ' A' ' 78' ' ' LEU . 5.3 p30 -57.43 -47.44 81.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.397 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.521 ' O ' ' C ' ' A' ' 115' ' ' LYS . 2.8 mttt 165.4 -93.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 114' ' ' LYS . 2.0 mttp 30.25 43.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 114' ' ' LYS . 0.4 OUTLIER -99.33 157.98 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 109.357 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.413 ' N ' ' CG2' ' A' ' 116' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.7 mtt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.535 0.207 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 mt -88.83 -59.9 2.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.904 HD13 ' CZ ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -70.65 -160.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.342 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' C ' ' H ' ' A' ' 6' ' ' ALA . 2.6 mm-40 -64.17 -134.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.577 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -61.27 -5.22 1.48 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.577 ' HB3' ' O ' ' A' ' 5' ' ' LYS . . . 75.62 22.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.904 ' CZ ' HD13 ' A' ' 3' ' ' LEU . 11.8 m-85 66.38 18.04 10.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 110.974 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -77.77 118.88 20.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 110.25 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 9' ' ' ILE . 13.3 mt -89.96 98.34 8.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -100.86 4.57 42.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -111.96 161.63 16.22 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.4 m-20 -89.08 -19.98 24.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.15 73.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 9' ' ' ILE . 8.2 m-20 -61.87 -33.39 74.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.952 ' CE1' HD13 ' A' ' 83' ' ' ILE . 1.1 m-85 -80.18 -25.74 39.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 tt0 -85.12 -37.68 19.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.2 mtt180 -50.52 -25.5 4.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 110.334 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.698 HD11 ' OD1' ' A' ' 81' ' ' ASP . 1.1 mt -88.15 -48.83 14.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.474 ' CE1' ' CD2' ' A' ' 33' ' ' TYR . 7.8 m-85 -64.96 -16.69 63.65 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 110.951 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.48 -70.86 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -60.23 -22.66 63.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.36 122.28 0.01 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.43 1.081 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 23' ' ' HIS . 7.4 t-160 179.22 59.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 0.785 . . . . 0.0 109.623 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.627 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 2.6 p -97.32 158.87 15.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.991 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.558 HG22 HG12 ' A' ' 32' ' ' VAL . 19.0 m -150.28 128.08 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' HA ' ' HA ' ' A' ' 31' ' ' VAL . . . -113.59 106.13 14.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.441 1.088 . . . . 0.0 109.286 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.621 ' OD1' ' CE1' ' A' ' 104' ' ' HIS . 11.1 t-20 -53.68 -96.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.504 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 0.6 OUTLIER -124.53 -39.81 2.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.798 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 6.6 mt-30 -139.58 9.78 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.355 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.589 ' HE1' HG23 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -134.79 144.84 47.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.664 HG22 ' HB ' ' A' ' 85' ' ' ILE . 1.7 m -116.84 130.1 72.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.079 HG11 ' HB2' ' A' ' 109' ' ' ALA . 0.9 OUTLIER -119.96 120.99 64.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.627 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 4.2 m-85 -109.01 95.53 5.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.895 HG21 ' HB1' ' A' ' 109' ' ' ALA . 7.7 p -114.08 147.23 39.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.378 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.8 t -179.01 174.98 1.03 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.376 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 66.17 88.25 0.11 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -113.69 57.49 0.68 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.371 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 177.07 -57.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -78.88 56.91 2.02 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.862 ' CG2' ' HB1' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -138.01 176.57 6.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.612 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -130.96 4.95 4.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.612 ' CG ' ' O ' ' A' ' 41' ' ' ASP . 2.5 m170 157.32 173.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 109.676 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.827 ' CZ ' ' CZ ' ' A' ' 7' ' ' TYR . 54.6 p90 -74.78 108.0 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 111.025 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.558 ' HE ' HD11 ' A' ' 40' ' ' ILE . 5.1 mtt180 -86.58 96.78 10.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.023 HD13 ' CD2' ' A' ' 70' ' ' PHE . 9.0 mt -77.3 115.04 16.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.445 ' O ' HD13 ' A' ' 47' ' ' ILE . . . -101.03 153.88 19.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.502 1.126 . . . . 0.0 110.995 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.688 HD12 HG21 ' A' ' 66' ' ' ILE . 32.8 mm -135.75 110.49 11.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.702 ' CB ' HG23 ' A' ' 85' ' ' ILE . 30.6 m -141.81 175.24 9.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.727 HG12 HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -137.59 -165.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.45 ' HB3' HD12 ' A' ' 53' ' ' LEU . 40.3 t -102.09 168.21 9.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.081 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -4.46 43.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.19 -24.24 13.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.729 HD23 HD22 ' A' ' 58' ' ' LEU . 1.0 OUTLIER -82.71 -104.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.454 ' N ' HD21 ' A' ' 58' ' ' LEU . . . 52.25 91.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.438 1.086 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.681 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -175.44 170.69 2.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 0.73 . . . . 0.0 109.253 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 60' ' ' ASN . . . -95.18 -21.51 18.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.3 p -81.05 -31.67 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.963 HD12 ' N ' ' A' ' 59' ' ' ARG . 4.1 pp -85.34 -45.68 11.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.963 ' N ' HD12 ' A' ' 58' ' ' LEU . 14.2 ttp180 -64.93 -8.44 15.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.333 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.1 m-20 -93.01 -14.95 26.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.748 ' O ' HD13 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -115.22 -11.28 12.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.7 HG21 ' HB2' ' A' ' 86' ' ' ALA . 97.2 mt -108.71 -29.08 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.525 ' CB ' ' O ' ' A' ' 59' ' ' ARG . 0.1 OUTLIER -98.08 -15.95 19.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 8.1 ttt180 -70.51 -52.27 23.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.691 ' HB3' ' CG2' ' A' ' 98' ' ' ILE . . . -71.29 -23.37 61.94 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.1 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.962 HD12 HD11 ' A' ' 102' ' ' LEU . 0.7 OUTLIER -72.48 -37.82 58.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.04 10.12 30.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.242 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.28 -28.54 12.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -108.01 -9.76 15.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 1.023 ' CD2' HD13 ' A' ' 45' ' ' LEU . 2.1 m-30 -81.6 -8.24 59.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.69 -4.12 28.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.7 m -117.34 -45.1 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.685 ' HB3' HD13 ' A' ' 77' ' ' ILE . 86.8 m-70 -76.21 -7.76 55.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.605 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 1.5 tttm -45.21 -31.7 1.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.3 m -96.21 -21.97 17.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.942 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.524 ' CG ' ' HA ' ' A' ' 73' ' ' HIS . 3.5 m170 -76.01 -21.78 56.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.685 HD13 ' HB3' ' A' ' 73' ' ' HIS . 1.6 mp -95.57 144.29 10.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.831 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -115.91 175.14 5.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.862 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -55.67 133.61 50.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.235 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.61 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER 155.43 110.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.73 ' H ' HD13 ' A' ' 40' ' ' ILE . 3.8 t0 -41.75 103.54 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.771 HD12 HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -116.22 148.65 18.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.264 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.952 HD13 ' CE1' ' A' ' 15' ' ' PHE . 18.3 mt -154.57 114.07 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.916 HG12 HG22 ' A' ' 32' ' ' VAL . 4.1 m -100.67 94.72 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.702 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -91.07 143.75 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.7 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -86.16 121.26 28.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.71 ' HB3' ' HD2' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -57.1 -161.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.363 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.633 ' HB3' ' HD3' ' A' ' 89' ' ' PRO . 1.4 tm0? -81.61 -55.83 0.61 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.339 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.71 ' HD2' ' HB3' ' A' ' 87' ' ' ARG . 18.0 Cg_endo -75.03 6.6 3.31 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.468 1.773 . . . . 0.0 110.948 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.798 ' HB2' ' O ' ' A' ' 29' ' ' GLN . . . -70.15 -4.72 22.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.247 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.572 ' CB ' HD21 ' A' ' 53' ' ' LEU . 3.9 ptpp? -83.92 -29.81 26.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.5 0.1 35.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.515 ' CG ' ' NE2' ' A' ' 29' ' ' GLN . 0.1 OUTLIER -75.95 -167.04 0.66 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.711 ' O ' HD12 ' A' ' 98' ' ' ILE . 63.4 p -150.3 169.12 22.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -9.31 7.33 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.427 1.079 . . . . 0.0 110.39 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.475 HD13 ' ND2' ' A' ' 100' ' ' ASN . 1.4 tm? -95.63 -42.34 8.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -60.72 -58.99 6.13 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.748 HD13 ' O ' ' A' ' 61' ' ' LYS . 2.0 mp -37.18 -58.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.601 ' HG3' ' HB1' ' A' ' 65' ' ' ALA . 46.9 mt-30 -53.06 -44.81 67.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.475 ' ND2' HD13 ' A' ' 96' ' ' LEU . 39.8 m-20 -68.25 -24.2 64.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.36 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 104' ' ' HIS . 5.1 p -73.69 -56.71 4.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.413 1.071 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.962 HD11 HD12 ' A' ' 66' ' ' ILE . 1.4 mp -47.49 -34.61 7.64 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -65.33 -4.97 6.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.102 . . . . 0.0 110.343 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.633 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -130.7 -72.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.565 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.963 HG22 ' HB ' ' A' ' 32' ' ' VAL . 11.7 p -39.11 -53.44 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.774 HD23 ' HB3' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -71.89 -40.96 68.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.49 -40.71 27.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.528 HD11 ' NE2' ' A' ' 104' ' ' HIS . 54.8 mt -70.84 -45.5 73.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.079 ' HB2' HG11 ' A' ' 32' ' ' VAL . . . -37.39 -44.88 0.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.546 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 2.7 ttmt 91.28 24.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.692 ' CG2' HD13 ' A' ' 106' ' ' LEU . 32.3 m -84.26 17.15 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.502 ' CE2' HD11 ' A' ' 106' ' ' LEU . 5.7 m-85 -107.02 119.57 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.831 ' N ' HD11 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -48.59 -47.73 39.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.232 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.585 ' O ' ' CB ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -138.22 -41.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.585 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 0.2 OUTLIER 94.19 88.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.256 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -49.73 147.87 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.223 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.3 tttt . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.357 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.0 mmt . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.481 0.182 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -68.2 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.713 HD13 ' N ' ' A' ' 4' ' ' GLU . 1.5 tm? -133.23 155.56 49.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.713 ' N ' HD13 ' A' ' 3' ' ' LEU . 2.9 mm-40 -110.18 -133.57 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 0.4 OUTLIER -66.44 -6.03 13.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.624 ' HA ' HD11 ' A' ' 3' ' ' LEU . . . 72.04 22.65 3.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.55 ' CD1' ' HB2' ' A' ' 42' ' ' HIS . 9.9 m-85 65.05 23.23 12.46 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.7 ttp85 -73.0 133.17 44.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.075 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.01 HG21 ' CB ' ' A' ' 14' ' ' ASP . 1.4 mt -101.23 -155.52 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.728 ' H ' HG22 ' A' ' 9' ' ' ILE . 0.1 OUTLIER 161.04 -26.82 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.588 1.18 . . . . 0.0 109.32 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.474 ' HG3' ' HB3' ' A' ' 13' ' ' ALA . 0.0 OUTLIER -62.46 139.5 58.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 109.269 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' GLN . 1.2 t-20 -59.3 -21.91 60.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.386 1.054 . . . . 0.0 109.275 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.474 ' HB3' ' HG3' ' A' ' 11' ' ' LYS . . . -63.7 -67.34 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.436 1.085 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 1.01 ' CB ' HG21 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -58.56 -16.04 13.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.314 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.759 ' CE1' HG21 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -94.03 -20.61 19.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.56 1.162 . . . . 0.0 110.991 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.1 tt0 -89.51 -53.19 4.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -42.63 -26.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.687 HG22 ' HD1' ' A' ' 33' ' ' TYR . 1.6 mt -90.65 -47.26 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.266 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.796 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 4.6 m-85 -68.52 -6.54 25.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.1 OUTLIER -92.24 -79.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.147 . . . . 0.0 109.269 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -98.24 -20.95 16.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 18' ' ' ILE . . . -49.96 177.2 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 0.0 110.977 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 15.1 t60 -139.75 126.3 20.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.573 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.565 ' HB3' ' CD1' ' A' ' 33' ' ' TYR . 85.7 p -115.31 157.37 23.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 110.049 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.726 HG22 HG23 ' A' ' 32' ' ' VAL . 30.7 m -130.01 124.89 59.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -115.1 137.1 52.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.456 1.098 . . . . 0.0 109.215 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.803 ' ND2' ' H ' ' A' ' 28' ' ' ARG . 1.1 p30 -102.94 -59.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.803 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -130.8 -74.13 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.593 1.183 . . . . 0.0 110.284 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.492 ' NE2' ' SD ' ' A' ' 93' ' ' MET . 1.4 pm0 -124.78 10.25 8.32 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.249 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.751 ' O ' HG21 ' A' ' 105' ' ' VAL . 0.3 OUTLIER -120.65 125.17 47.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.589 1.18 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.614 HG13 ' HB ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -117.53 104.19 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.022 HG12 HG12 ' A' ' 84' ' ' VAL . 16.4 m -91.9 125.14 44.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.796 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 1.4 m-85 -97.56 128.73 44.52 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.95 HG21 ' HB1' ' A' ' 109' ' ' ALA . 21.6 p -143.1 141.63 31.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.346 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 0.1 OUTLIER 174.9 172.35 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 108.293 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' ' 35' ' ' CYS . 10.7 t-20 79.1 103.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -112.09 24.53 12.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.613 1.195 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.23 148.24 32.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 47.8 75.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.234 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.781 HD11 ' HA ' ' A' ' 80' ' ' LYS . 2.9 tp -94.48 167.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.416 ' C ' ' CD2' ' A' ' 42' ' ' HIS . 7.0 t70 -137.08 33.06 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.747 ' HA ' ' HB2' ' A' ' 79' ' ' ALA . 22.3 m-70 79.92 164.38 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.592 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.62 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 20.7 p90 -55.13 112.09 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.56 ' CD ' HD11 ' A' ' 9' ' ' ILE . 23.9 mtt180 -90.39 -176.02 4.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.368 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.18 HD21 ' CE2' ' A' ' 70' ' ' PHE . 0.2 OUTLIER -157.44 113.38 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.273 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -85.99 -60.4 1.77 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.451 1.094 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.538 HG23 ' HD3' ' A' ' 63' ' ' LYS . 19.9 mt 70.38 109.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 1.013 ' CB ' HG23 ' A' ' 85' ' ' ILE . 5.7 m -139.38 160.39 39.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.661 HG13 HD13 ' A' ' 53' ' ' LEU . 75.7 t -150.39 166.84 2.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.533 ' N ' HG12 ' A' ' 49' ' ' VAL . 2.3 t -94.72 165.44 12.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.953 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -103.54 2.77 33.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.355 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' LEU . 2.7 mttt -110.53 -14.66 14.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.092 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.661 HD13 HG13 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -37.12 -73.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 168.98 -111.19 0.42 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.467 ' N ' HD12 ' A' ' 58' ' ' LEU . 1.5 t30 -99.03 177.42 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.51 -25.27 65.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 p -50.86 -41.0 20.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.534 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.89 -44.22 61.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.436 ' CZ ' ' HB ' ' A' ' 49' ' ' VAL . 14.3 ttm-85 -66.72 -9.87 40.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.165 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.538 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.6 m-20 -97.2 -34.76 10.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.431 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 4.0 mttp -76.81 -37.12 56.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.035 HG21 ' HB2' ' A' ' 86' ' ' ALA . 88.4 mt -72.3 -26.66 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 109.272 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.568 ' CE ' HG22 ' A' ' 62' ' ' ILE . 11.0 mmpt? -96.89 -18.32 19.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 8.4 ttt180 -81.94 -66.83 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.762 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -47.26 -41.37 18.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.874 ' CD1' HD11 ' A' ' 102' ' ' LEU . 4.9 tp -67.05 -33.36 62.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -80.97 -2.13 46.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -108.75 -16.48 14.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -100.53 -27.33 13.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 1.18 ' CE2' HD21 ' A' ' 45' ' ' LEU . 1.4 m-85 -78.41 -40.44 35.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -66.44 -42.16 88.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.599 HG13 ' CD2' ' A' ' 73' ' ' HIS . 7.7 p -69.93 -51.86 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.599 ' CD2' HG13 ' A' ' 72' ' ' VAL . 96.1 m-70 -84.3 13.37 5.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.576 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' PHE . 33.5 ttpt -52.08 -36.57 51.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.41 16.89 24.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.037 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.509 ' N ' ' CD2' ' A' ' 76' ' ' HIS . 1.2 m170 -120.46 4.96 10.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.594 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.602 ' C ' HD13 ' A' ' 78' ' ' LEU . 1.3 mp -113.44 156.1 14.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.966 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -111.61 176.7 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.267 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.747 ' HB2' ' HA ' ' A' ' 42' ' ' HIS . . . -78.74 131.62 36.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.781 ' HA ' HD11 ' A' ' 40' ' ' ILE . 1.2 mtpp 163.97 118.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 80' ' ' LYS . 0.7 OUTLIER -34.92 96.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.67 ' CG1' HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -111.06 124.54 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.295 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.771 HG22 HD11 ' A' ' 85' ' ' ILE . 23.0 mt -145.29 111.68 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.022 HG12 HG12 ' A' ' 32' ' ' VAL . 2.6 m -102.49 128.31 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.399 1.062 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.013 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -111.81 158.02 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.035 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -89.44 40.92 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 29' ' ' GLN . 0.4 OUTLIER 37.59 -91.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 86' ' ' ALA . 1.2 mt-30 -166.59 -59.04 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.543 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.01 2.89 6.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -49.42 -21.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.426 1.079 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.532 ' HA ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -55.55 -20.63 13.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -98.14 15.59 23.85 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.492 ' SD ' ' NE2' ' A' ' 29' ' ' GLN . 7.0 ttp -106.97 147.87 29.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 111.02 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.468 ' N ' ' HG2' ' A' ' 93' ' ' MET . 1.0 OUTLIER -115.51 150.75 36.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.436 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.904 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.2 m -47.41 -21.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.4 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.406 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.3 tm? -69.48 -38.59 77.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 94' ' ' THR . 23.3 mt-30 -80.45 -36.83 33.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 95' ' ' THR . 72.4 mt -48.46 -33.75 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.19 -38.06 44.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -70.24 -43.31 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.433 ' O ' HG12 ' A' ' 105' ' ' VAL . 24.4 m -63.66 -49.72 72.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.043 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.874 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.2 OUTLIER -53.96 -31.25 50.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.86 -0.45 16.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 110.36 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.889 ' NE2' HD11 ' A' ' 108' ' ' ILE . 1.7 t-160 -130.68 -74.98 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 109.599 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.801 HG22 HG22 ' A' ' 32' ' ' VAL . 9.7 p -35.51 -54.96 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.99 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -66.46 -41.83 88.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.621 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 8.6 tttt -48.38 -24.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.602 1.189 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.889 HD11 ' NE2' ' A' ' 104' ' ' HIS . 13.8 mt -87.66 -41.2 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.95 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -58.0 -38.97 77.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.342 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 1.2 tttt 74.0 34.67 0.85 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.99 HG22 HD13 ' A' ' 106' ' ' LEU . 28.5 m -90.66 7.28 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.792 ' CD1' HD11 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -137.06 119.81 16.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.096 . . . . 0.0 111.002 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.72 ' N ' HD11 ' A' ' 78' ' ' LEU . 42.7 m-80 -36.27 -47.02 0.56 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 109.353 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.62 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 175.46 -80.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 116' ' ' ILE . 0.8 OUTLIER 172.05 94.99 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.457 ' HB ' ' ND1' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -36.81 144.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.231 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.57 ' O ' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.509 0.195 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER 160.78 -174.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.116 HD11 ' CE1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -111.67 -175.36 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.361 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.747 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 3.2 tt0 -147.23 -147.69 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.338 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 7' ' ' TYR . 7.0 pttt -57.61 -5.22 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.527 ' H ' ' C ' ' A' ' 4' ' ' GLU . . . -38.15 -30.47 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 1.116 ' CE1' HD11 ' A' ' 3' ' ' LEU . 17.8 m-85 -48.19 -19.44 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' N ' ' C ' ' A' ' 6' ' ' ALA . 10.3 ptp180 -76.55 138.84 40.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.831 HG23 ' HB2' ' A' ' 14' ' ' ASP . 7.2 mm -68.4 88.6 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.419 1.075 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -71.89 -45.4 61.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.5 mttt -89.54 136.28 33.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.122 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -64.44 -37.24 86.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.554 1.159 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.99 -50.19 28.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.831 ' HB2' HG23 ' A' ' 9' ' ' ILE . 67.6 m-20 -51.84 -32.99 34.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.746 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -84.54 -41.0 16.93 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.582 1.176 . . . . 0.0 111.037 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -66.26 -43.78 85.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.345 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.456 ' N ' ' CG ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -46.56 -36.7 7.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.362 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.532 HD12 HG13 ' A' ' 83' ' ' ILE . 0.4 OUTLIER -75.88 -51.33 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -60.32 -14.03 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.15 -89.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.366 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 22' ' ' GLY . 14.0 mttt -126.87 14.96 7.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -51.13 -174.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -130.42 113.66 14.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.631 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.592 ' HB2' ' CD1' ' A' ' 33' ' ' TYR . 25.3 p -111.4 151.08 28.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.969 HG11 HG22 ' A' ' 108' ' ' ILE . 17.9 m -132.8 126.35 54.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -111.84 139.34 47.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.391 1.057 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.493 ' CG ' ' N ' ' A' ' 28' ' ' ARG . 37.1 p-10 -120.14 -144.39 0.36 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.493 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -33.16 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.292 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.466 ' HG3' ' C ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -138.88 36.71 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.315 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.716 ' HB3' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -133.31 149.66 51.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.573 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -138.45 106.56 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.362 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.772 HG12 HG12 ' A' ' 84' ' ' VAL . 21.8 m -102.71 123.13 55.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.346 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.592 ' CD1' ' HB2' ' A' ' 24' ' ' SER . 3.2 m-85 -106.16 122.25 45.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 111.066 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.82 HG21 ' HB1' ' A' ' 109' ' ' ALA . 60.9 p -132.53 161.39 33.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.445 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.474 ' HB3' HG23 ' A' ' 18' ' ' ILE . 13.5 p -150.81 153.73 35.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 108.268 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -46.5 134.62 9.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.991 ' OD1' HG22 ' A' ' 40' ' ' ILE . 30.4 t-20 -40.29 130.09 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.522 ' O ' ' CB ' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -90.86 23.31 3.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.522 ' CB ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER 88.99 45.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.125 . . . . 0.0 110.275 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.991 HG22 ' OD1' ' A' ' 37' ' ' ASN . 4.2 tp -105.67 -138.62 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.826 ' N ' HG23 ' A' ' 40' ' ' ILE . 4.1 p-10 156.89 18.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.782 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 43.9 m-70 -143.48 8.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 109.616 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.924 ' CE2' ' CE1' ' A' ' 7' ' ' TYR . 25.4 p90 47.92 153.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.946 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.505 ' HB3' HD13 ' A' ' 9' ' ' ILE . 40.8 mtm180 -143.34 99.05 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.428 1.08 . . . . 0.0 110.378 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.854 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.64 137.74 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.474 ' C ' HD12 ' A' ' 47' ' ' ILE . . . -108.65 178.45 21.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.858 HG23 HG21 ' A' ' 66' ' ' ILE . 3.3 mp -139.56 109.9 4.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 0.749 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.909 ' CB ' HG23 ' A' ' 85' ' ' ILE . 40.4 m -126.31 161.06 28.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.929 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.672 HG13 HD13 ' A' ' 53' ' ' LEU . 77.7 t -146.59 167.95 6.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.533 ' N ' HG12 ' A' ' 49' ' ' VAL . 0.1 OUTLIER -93.45 170.49 9.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.77 -2.59 19.86 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.144 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -103.95 -14.76 15.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.68 HD21 HD11 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -39.15 -78.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.613 1.196 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.462 ' HA3' ' CD1' ' A' ' 58' ' ' LEU . . . 177.15 -109.09 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.487 ' N ' HD12 ' A' ' 58' ' ' LEU . 1.4 t30 -100.03 176.8 5.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.99 -24.34 66.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.4 p -54.94 -41.06 56.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.229 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.494 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 2.9 mt -69.9 -44.63 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.654 ' HG3' HG21 ' A' ' 49' ' ' VAL . 37.5 ttt180 -68.49 -8.26 39.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 1.161 . . . . 0.0 110.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 1.4 m-20 -98.6 -29.02 13.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.282 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -34.75 22.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.438 1.087 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.857 HG21 ' HB2' ' A' ' 86' ' ' ALA . 85.3 mt -74.39 -39.72 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.446 ' HG2' HG22 ' A' ' 47' ' ' ILE . 24.8 mttt -70.37 -58.64 3.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.469 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 12.4 ptp180 -49.15 -41.43 36.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.639 ' HB1' HG21 ' A' ' 98' ' ' ILE . . . -74.67 -28.11 60.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.858 HG21 HG23 ' A' ' 47' ' ' ILE . 6.4 mt -74.99 -33.13 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -96.85 10.8 37.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -121.05 -2.49 9.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 0.0 110.332 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.726 ' CB ' HD13 ' A' ' 102' ' ' LEU . 20.3 t-20 -96.54 -63.69 1.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 109.366 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.608 ' CE2' HG12 ' A' ' 77' ' ' ILE . 1.5 m-85 -57.63 -22.61 46.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -52.68 63.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.609 1.193 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 69' ' ' ASN . 2.5 m -75.01 -42.55 45.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.595 ' HA ' ' CG ' ' A' ' 76' ' ' HIS . 87.9 m-70 -78.56 6.57 8.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.567 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 70' ' ' PHE . 15.9 ttpt -47.5 -55.18 9.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.06 -1.05 18.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.596 ' N ' ' CD2' ' A' ' 76' ' ' HIS . 0.3 OUTLIER -103.15 -10.57 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.409 1.068 . . . . 0.0 109.649 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.608 HG12 ' CE2' ' A' ' 70' ' ' PHE . 1.5 mp -98.67 152.2 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.834 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -120.02 148.49 43.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.075 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.597 ' HB1' HG23 ' A' ' 40' ' ' ILE . . . -45.16 109.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.44 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 0.1 OUTLIER -178.22 108.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 34' ' ' THR . 0.3 OUTLIER -38.69 123.72 1.27 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.23 -179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.905 HD11 HG13 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -140.61 156.73 23.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.824 ' N ' HD13 ' A' ' 82' ' ' ILE . 27.2 mt -154.4 107.11 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.905 HG13 HD11 ' A' ' 82' ' ' ILE . 10.3 m -90.03 110.08 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.909 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.8 OUTLIER -109.86 163.26 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.857 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -115.53 107.19 14.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.619 1.2 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.696 ' CB ' ' HD2' ' A' ' 89' ' ' PRO . 5.4 mtp180 -53.92 -164.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.273 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.672 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER -78.63 -41.09 1.78 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 110.291 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.696 ' HD2' ' CB ' ' A' ' 87' ' ' ARG . 18.5 Cg_endo -74.9 4.71 4.45 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.43 1.752 . . . . 0.0 111.016 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.458 ' CB ' ' HB1' ' A' ' 86' ' ' ALA . . . -73.92 -11.82 60.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HA ' ' CD2' ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.93 -34.62 66.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.448 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 0.2 OUTLIER -80.39 2.9 23.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.09 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.429 ' HB2' ' CD ' ' A' ' 29' ' ' GLN . 2.9 ttp -106.28 130.88 54.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 97' ' ' GLN . 5.0 p -99.94 153.38 19.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.428 1.08 . . . . 0.0 110.424 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.2 m -46.23 -23.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.412 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.409 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -68.1 -41.25 82.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 94' ' ' THR . 25.2 mt-30 -80.35 -16.34 54.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.348 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.639 HG21 ' HB1' ' A' ' 65' ' ' ALA . 8.9 mt -65.34 -56.63 14.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -58.56 -25.99 63.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -90.4 -16.53 28.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 97' ' ' GLN . 17.3 m -89.8 -46.63 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.726 HD13 ' CB ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -53.38 -25.95 17.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.84 -0.01 14.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 110.247 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 1.3 t-160 -127.35 -75.2 0.58 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.733 HG22 HG22 ' A' ' 32' ' ' VAL . 4.6 p -38.78 -52.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.259 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.983 HD11 ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -67.79 -43.53 79.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.258 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -54.02 -22.01 9.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.969 HG22 HG11 ' A' ' 25' ' ' VAL . 2.6 mt -88.32 -33.84 6.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.455 1.097 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.82 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -55.18 -37.46 67.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.577 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.1 OUTLIER 94.1 19.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.913 HG22 HD13 ' A' ' 106' ' ' LEU . 2.8 m -97.27 29.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.983 ' CD2' HD11 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -132.02 113.42 13.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.834 ' N ' HD11 ' A' ' 78' ' ' LEU . 0.0 OUTLIER -52.42 -53.67 42.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.514 ' O ' ' HB3' ' A' ' 115' ' ' LYS . 3.1 tttt -131.06 -37.07 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.626 ' HB2' ' CG ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER 72.96 90.45 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.237 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -56.77 144.15 9.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mtm . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.504 0.192 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.12 -134.4 0.35 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.015 HD21 ' CZ ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -112.49 -176.05 2.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.635 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 11.3 tt0 -148.9 -133.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.44 ' C ' ' N ' ' A' ' 7' ' ' TYR . 14.5 ptpt -57.71 -6.79 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.736 ' HB1' ' CG ' ' A' ' 42' ' ' HIS . . . -45.49 -24.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 1.015 ' CZ ' HD21 ' A' ' 3' ' ' LEU . 44.1 m-85 -47.55 -21.85 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 5' ' ' LYS . 1.7 ptt180 -117.21 158.25 24.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.644 HD12 ' CG ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -57.17 111.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.48 -40.93 72.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.339 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.588 ' O ' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -155.39 163.16 40.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 15' ' ' PHE . 0.7 OUTLIER -45.13 -47.58 12.19 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.411 1.069 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -46.87 -47.75 21.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.253 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.443 ' O ' HG13 ' A' ' 18' ' ' ILE . 1.6 m-20 -59.76 -30.6 68.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.302 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.876 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -82.07 -35.98 28.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.978 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 19' ' ' TYR . 1.3 mt-30 -67.16 -53.62 28.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 110.263 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -40.45 -28.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 1.028 HD12 HD11 ' A' ' 83' ' ' ILE . 1.4 mt -84.31 -48.5 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' GLN . 5.8 m-85 -62.96 -10.89 15.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 111.032 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -87.62 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -34.74 77.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.563 1.164 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 18' ' ' ILE . . . -61.42 143.96 48.71 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.525 ' CE1' ' OG1' ' A' ' 34' ' ' THR . 50.8 p-80 -94.73 -154.73 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 0.73 . . . . 0.0 109.568 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.632 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 78.7 p -174.58 146.86 1.04 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.983 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.858 HG11 HG22 ' A' ' 108' ' ' ILE . 21.3 m -121.54 -141.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 159.64 136.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.675 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 6.9 p-10 -96.24 -78.33 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.425 1.078 . . . . 0.0 109.3 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.675 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 28.2 mmt180 -123.66 -55.18 1.73 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.541 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 1.4 pm0 -132.6 -0.7 3.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' O ' ' HA ' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -116.85 148.1 41.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.939 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG22 ' HB ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -134.61 138.81 48.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.992 HG12 HG12 ' A' ' 84' ' ' VAL . 15.6 m -120.22 120.69 63.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.632 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 5.7 m-85 -95.81 117.65 30.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.924 HG21 ' HB1' ' A' ' 109' ' ' ALA . 70.4 p -125.56 158.64 34.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.419 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.7 p -92.09 140.8 29.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 108.28 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.416 ' O ' ' CG ' ' A' ' 37' ' ' ASN . 1.7 t30 -99.46 149.12 23.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.461 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 10.4 p30 46.54 -172.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER 85.82 -48.37 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 67.92 118.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.241 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.544 ' CG2' ' N ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -110.48 -179.99 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.435 1.085 . . . . 0.0 109.368 179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.502 ' C ' ' CB ' ' A' ' 79' ' ' ALA . 43.6 t0 -119.08 -11.11 9.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.844 ' HB3' HD12 ' A' ' 3' ' ' LEU . 2.2 p-80 -134.46 145.8 49.18 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.653 ' CZ ' ' CE1' ' A' ' 7' ' ' TYR . 11.2 p90 -102.21 94.59 5.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.69 ' O ' HG23 ' A' ' 82' ' ' ILE . 2.1 mtm-85 -54.75 137.1 45.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 110.278 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.02 HD11 ' CD2' ' A' ' 70' ' ' PHE . 0.9 OUTLIER -118.12 90.03 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.292 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.632 ' O ' HG23 ' A' ' 83' ' ' ILE . . . -112.59 133.01 11.09 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.46 1.1 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.788 HG21 ' HB2' ' A' ' 63' ' ' LYS . 4.8 mp -113.86 126.86 71.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.404 0.708 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.901 ' CB ' HG23 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -115.85 154.42 29.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.956 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.664 HG21 ' HB2' ' A' ' 59' ' ' ARG . 45.8 t -138.74 151.54 24.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.3 t -93.55 165.33 12.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.934 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 ptpt -95.16 0.44 54.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.04 -19.91 14.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.959 HD22 HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -41.66 -73.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.622 ' CA ' HD21 ' A' ' 58' ' ' LEU . . . 169.52 -110.74 0.39 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 -167.2 1.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 0.779 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.515 ' O ' ' HG3' ' A' ' 59' ' ' ARG . . . -95.43 -22.08 17.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.255 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.66 -30.44 50.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 1.055 HD12 ' N ' ' A' ' 59' ' ' ARG . 1.2 pp -80.0 -33.54 39.24 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 1.055 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -75.06 -11.31 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.529 ' O ' ' CG ' ' A' ' 64' ' ' ARG . 0.7 OUTLIER -88.69 -36.3 16.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.546 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 0.4 OUTLIER -82.07 -12.99 57.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.032 HD11 ' O ' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -90.76 -33.98 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.506 1.128 . . . . 0.0 109.281 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.788 ' HB2' HG21 ' A' ' 47' ' ' ILE . 7.4 tmtt? -89.58 -50.79 5.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.535 ' HA ' ' HG2' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -58.23 -17.48 19.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 110.333 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.731 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -79.26 -51.04 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.342 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.935 HG12 HD21 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -65.5 -35.51 75.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.137 . . . . 0.0 109.333 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.535 ' HG2' ' HA ' ' A' ' 64' ' ' ARG . 0.0 OUTLIER -73.26 -7.16 50.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.306 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.24 -43.18 9.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.503 ' ND2' ' CD2' ' A' ' 73' ' ' HIS . 1.2 t30 -71.09 -57.56 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 1.02 ' CD2' HD11 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -51.55 -16.56 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 110.962 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 67' ' ' ARG . 3.6 tptt -79.18 -29.86 43.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 69' ' ' ASN . 0.8 OUTLIER -95.44 -41.24 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.587 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 77.5 m-70 -81.71 6.85 14.05 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.477 1.11 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -49.01 -38.7 24.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.618 1.199 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.7 m -80.34 -18.48 48.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.587 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 1.6 m170 -87.92 -20.55 25.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.595 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.546 HD13 ' O ' ' A' ' 73' ' ' HIS . 1.3 mp -79.82 164.07 3.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.759 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -146.29 152.67 39.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.596 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -38.92 131.37 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.596 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 6.2 mttp 155.19 104.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.357 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -41.66 130.27 3.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.872 ' HB ' HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -143.1 149.91 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.323 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 1.028 HD11 HD12 ' A' ' 18' ' ' ILE . 5.1 mt -153.36 116.53 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.055 ' C ' HD13 ' A' ' 85' ' ' ILE . 16.5 m -94.72 130.87 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.055 HD13 ' C ' ' A' ' 84' ' ' VAL . 0.3 OUTLIER -119.77 153.71 22.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.434 1.084 . . . . 0.0 109.353 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.716 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -106.49 106.14 16.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.54 ' CB ' ' HD2' ' A' ' 89' ' ' PRO . 10.6 mtm180 -53.92 -168.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.442 1.089 . . . . 0.0 110.257 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.579 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 1.9 mt-30 -75.12 -46.78 4.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.335 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.3 Cg_endo -75.06 6.6 3.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.566 1.824 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.032 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -89.8 -3.18 58.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.591 ' HA ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -75.48 -34.32 60.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 0.5 OUTLIER -94.49 22.27 6.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.225 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.518 ' CE ' HG12 ' A' ' 98' ' ' ILE . 4.8 ttp -97.52 156.74 16.36 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.543 1.152 . . . . 0.0 111.068 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.444 ' N ' ' HG2' ' A' ' 93' ' ' MET . 0.8 OUTLIER -118.02 150.12 39.82 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.408 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.795 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.6 m -47.47 -22.95 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.66 -40.49 72.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HB2' ' CG ' ' A' ' 93' ' ' MET . 24.8 mt-30 -83.06 -10.67 58.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.795 HD12 ' HA ' ' A' ' 95' ' ' THR . 24.4 mt -84.96 -44.01 17.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.55 ' NE2' HG22 ' A' ' 95' ' ' THR . 1.4 pt20 -75.17 -10.1 59.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.385 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -98.82 -12.15 21.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.367 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 105' ' ' VAL . 58.3 m -88.25 -45.41 10.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.961 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.935 HD21 HG12 ' A' ' 66' ' ' ILE . 1.4 mp -47.89 -44.46 29.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 107' ' ' LYS . 10.6 pt-20 -52.25 -22.63 4.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.319 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.889 ' NE2' HD11 ' A' ' 108' ' ' ILE . 0.0 OUTLIER -115.73 -74.37 0.61 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.63 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.587 ' HB ' ' CG ' ' A' ' 27' ' ' ASN . 3.7 p -38.76 -52.77 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.864 HD21 ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -63.78 -43.48 96.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 104' ' ' HIS . 1.2 pttt -49.32 -33.7 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 109.243 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.889 HD11 ' NE2' ' A' ' 104' ' ' HIS . 18.6 mt -77.48 -33.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.924 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -52.48 -32.92 42.27 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.463 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 0.2 OUTLIER 84.82 17.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.872 HG11 ' HB ' ' A' ' 82' ' ' ILE . 5.4 m -95.03 27.97 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.864 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -124.87 104.82 8.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 111.069 179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.667 ' H ' HD12 ' A' ' 78' ' ' LEU . 0.7 OUTLIER -75.2 -50.23 16.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.541 ' H ' ' ND2' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -78.77 -21.0 48.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.337 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' LYS . 1.8 pttm 39.85 51.06 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.0 146.35 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 18.8 tttt . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.487 0.184 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.46 ' O ' ' O ' ' A' ' 3' ' ' LEU . 72.6 mt 54.06 99.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.9 HD11 ' HA ' ' A' ' 6' ' ' ALA . 23.1 tp 57.39 155.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.757 ' H ' HD12 ' A' ' 3' ' ' LEU . 2.1 mm-40 -97.35 -132.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.331 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.507 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 8.7 pttm -61.78 -6.3 2.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.9 ' HA ' HD11 ' A' ' 3' ' ' LEU . . . 71.8 22.66 3.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.249 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.55 ' CE2' ' CE1' ' A' ' 43' ' ' PHE . 9.5 m-85 61.24 21.17 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.516 ' HG3' ' HB3' ' A' ' 6' ' ' ALA . 5.6 mtt180 -73.48 134.27 43.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.582 1.176 . . . . 0.0 110.316 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.713 HG21 ' CG ' ' A' ' 15' ' ' PHE . 2.2 mm -49.81 93.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -81.65 -35.48 29.93 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.606 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -98.03 162.77 13.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.429 ' O ' ' N ' ' A' ' 15' ' ' PHE . 6.6 m-20 -76.11 -50.78 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.408 ' HA ' ' CG ' ' A' ' 16' ' ' GLN . . . -47.19 -51.95 17.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.493 ' HB3' HG23 ' A' ' 9' ' ' ILE . 8.7 m-20 -49.78 -26.3 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.085 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.735 ' HE1' HG21 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -94.59 -39.81 10.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 110.923 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 17' ' ' ARG . 1.9 pp0? -65.63 -34.37 78.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.417 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.4 OUTLIER -60.97 -31.63 71.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.622 HG13 HD11 ' A' ' 83' ' ' ILE . 5.8 mm -74.33 -65.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -52.58 -18.18 1.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.92 -81.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.19 10.68 9.36 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -47.63 159.97 0.48 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.449 ' NE2' ' CG1' ' A' ' 25' ' ' VAL . 7.3 t60 -112.11 103.05 11.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 0.756 . . . . 0.0 109.612 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 33' ' ' TYR . 0.2 OUTLIER -83.23 152.18 25.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.005 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG22 HG23 ' A' ' 32' ' ' VAL . 24.6 m -142.72 125.91 14.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -121.22 134.45 55.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.836 ' ND2' ' H ' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -94.94 -58.16 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.836 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 5.8 mtp85 -128.37 -75.05 0.56 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.35 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.532 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -119.76 -4.62 10.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.331 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.881 ' HB3' HG21 ' A' ' 105' ' ' VAL . 0.1 OUTLIER -100.42 155.6 17.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 87' ' ' ARG . 0.2 OUTLIER -145.81 105.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.997 HG12 HG12 ' A' ' 84' ' ' VAL . 34.0 m -98.66 134.29 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 24' ' ' SER . 18.4 m-85 -103.92 131.97 50.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.991 HG21 ' HB1' ' A' ' 109' ' ' ALA . 66.6 p -147.63 151.69 36.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.391 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 0.1 OUTLIER -176.05 173.77 2.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 108.347 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 30.0 t30 -151.13 86.69 1.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -52.92 -39.86 63.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -148.2 -67.34 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -175.64 120.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.903 ' CG2' ' HB1' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -78.96 -166.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.504 ' C ' ' CG ' ' A' ' 42' ' ' HIS . 0.1 OUTLIER -142.97 16.19 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.647 ' H ' HG23 ' A' ' 40' ' ' ILE . 0.4 OUTLIER 165.35 160.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.513 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.623 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 41.0 p90 -79.37 109.06 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.68 ' NE ' HD11 ' A' ' 40' ' ' ILE . 40.9 mtm180 -81.68 108.82 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 110.246 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.625 HD21 ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -80.84 108.69 14.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 1.032 ' O ' HD13 ' A' ' 47' ' ' ILE . . . -115.27 147.0 18.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.032 HD13 ' O ' ' A' ' 46' ' ' GLY . 0.9 OUTLIER -139.25 137.77 41.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.996 ' CB ' HG23 ' A' ' 85' ' ' ILE . 1.2 m -142.4 -172.94 3.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 48' ' ' SER . 3.0 t -162.96 164.18 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.51 ' N ' ' CG1' ' A' ' 49' ' ' VAL . 28.4 t -98.25 162.66 13.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.058 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.1 2.09 48.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 -15.66 15.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.747 HD21 ' CD1' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -45.11 -78.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 165.05 -109.4 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.448 ' O ' ' CD2' ' A' ' 58' ' ' LEU . 1.3 t30 -81.03 -169.95 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 0.729 . . . . 0.0 109.244 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 59' ' ' ARG . . . -106.75 -21.01 13.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -67.81 -32.95 58.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.604 1.19 . . . . 0.0 109.287 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.936 HD12 ' HA ' ' A' ' 91' ' ' LYS . 1.4 pt? -81.47 -44.41 17.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.533 ' HB2' HG11 ' A' ' 49' ' ' VAL . 25.6 ptt180 -65.36 -11.87 46.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.28 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -84.56 -30.35 25.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -75.58 -31.57 60.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.889 HG21 ' HB2' ' A' ' 86' ' ' ALA . 65.4 mt -70.74 -26.36 28.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.711 ' HG2' HG21 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -99.24 -38.7 8.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 67' ' ' ARG . 11.9 ttt180 -57.39 -67.39 0.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.503 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -39.67 -42.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.861 HG13 HG21 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -59.66 -47.71 90.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.503 ' N ' ' O ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -70.5 -4.72 24.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.56 1.163 . . . . 0.0 110.326 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -117.8 -2.46 11.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 110.257 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.759 ' OD1' HD22 ' A' ' 102' ' ' LEU . 16.4 t-20 -116.46 -43.91 2.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.625 ' CD2' HD21 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -77.01 1.13 18.74 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.555 1.159 . . . . 0.0 111.055 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -82.51 -37.7 24.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.499 ' O ' ' NE2' ' A' ' 76' ' ' HIS . 3.0 m -82.49 -40.48 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.661 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 57.5 m-70 -68.73 -4.38 15.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.635 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.486 ' HA ' HG13 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -66.19 -17.84 64.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.616 ' C ' ' CD2' ' A' ' 76' ' ' HIS . 5.7 t -94.21 21.91 6.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.947 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.699 ' N ' ' CD2' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -155.3 28.75 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.59 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.642 ' C ' HD13 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -114.12 161.0 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.812 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -129.37 173.6 10.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.903 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -63.28 122.5 16.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.584 1.178 . . . . 0.0 109.327 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.661 ' N ' HG21 ' A' ' 40' ' ' ILE . 8.2 mttt 166.08 108.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 2.1 p30 -39.34 127.5 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.629 HG23 ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -133.01 138.61 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.735 HG21 ' HE1' ' A' ' 15' ' ' PHE . 2.2 mt -152.88 116.12 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.065 ' C ' HD13 ' A' ' 85' ' ' ILE . 3.5 m -97.56 121.95 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.065 HD13 ' C ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -115.86 158.79 16.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.889 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -95.32 102.28 14.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.517 ' O ' ' HB3' ' A' ' 88' ' ' GLN . 1.5 mmm180 -35.1 -70.72 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.566 1.166 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.626 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 168.85 -43.44 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.05 2.98 6.05 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.667 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -74.75 -25.44 59.09 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.936 ' HA ' HD12 ' A' ' 58' ' ' LEU . 23.2 pttt -40.59 -38.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -105.49 56.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.667 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 3.8 ttp -135.09 143.65 46.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.435 1.084 . . . . 0.0 111.027 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.467 ' N ' ' HG2' ' A' ' 93' ' ' MET . 2.5 p -100.07 148.14 24.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.784 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.3 m -48.94 -23.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.337 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.4 -39.53 94.03 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.587 1.179 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -79.48 -16.74 55.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.784 HD12 ' HA ' ' A' ' 95' ' ' THR . 92.6 mt -72.56 -63.86 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -58.77 -15.92 14.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -85.91 -35.86 20.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.1 m -80.65 -32.89 36.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.759 HD22 ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -53.62 -29.7 39.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.11 0.64 15.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.538 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -130.06 -73.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.881 HG21 ' HB3' ' A' ' 30' ' ' PHE . 1.3 p -39.72 -50.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.975 HD21 ' CZ ' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -72.89 -40.46 65.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -27.33 20.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.514 HG22 HG11 ' A' ' 25' ' ' VAL . 5.0 mt -83.77 -41.69 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.417 1.073 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.991 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -42.22 -31.34 0.38 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 61.0 tttt 78.45 35.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.691 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 33.9 m -101.39 4.37 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.975 ' CZ ' HD21 ' A' ' 106' ' ' LEU . 6.4 m-30 -116.24 122.87 46.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.999 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.675 ' N ' HD11 ' A' ' 78' ' ' LEU . 29.4 m-80 -34.78 -40.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.31 -92.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.47 81.37 0.33 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.74 143.99 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 mttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.526 0.203 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -42.12 144.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.217 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.984 HD21 ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -66.13 173.91 2.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.679 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 12.2 tt0 -152.78 -132.72 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 7' ' ' TYR . 5.5 ptpt -54.54 -6.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.568 ' H ' ' C ' ' A' ' 4' ' ' GLU . . . -46.16 -24.48 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.984 ' CZ ' HD21 ' A' ' 3' ' ' LEU . 45.2 m-85 -49.24 -18.05 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 6' ' ' ALA . 0.5 OUTLIER -115.7 156.33 26.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.746 HG22 ' N ' ' A' ' 10' ' ' LYS . 10.5 mt -94.16 -109.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.588 1.18 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.746 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER 94.06 -30.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 10.9 tttp -79.14 130.32 35.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.401 1.063 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' GLN . 14.3 t30 -57.27 -56.08 26.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 109.234 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -51.54 -48.64 62.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.607 ' HB3' HG23 ' A' ' 9' ' ' ILE . 56.9 t0 -57.16 -17.9 13.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.63 ' CE1' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -102.2 -33.35 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.0 OUTLIER -74.05 -37.14 64.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.328 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.6 -27.57 66.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.271 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.599 HD12 HD11 ' A' ' 83' ' ' ILE . 1.1 mt -89.72 -47.75 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -66.84 -9.52 38.36 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.45 1.094 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -61.03 -81.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' A' ' 22' ' ' GLY . 1.3 mttp -132.81 14.45 4.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 21' ' ' LYS . . . -47.73 176.81 0.01 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.418 1.074 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -115.73 107.82 15.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.614 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.669 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 82.5 p -95.18 157.43 15.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.017 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.713 ' CG2' HG23 ' A' ' 32' ' ' VAL . 28.1 m -144.42 124.78 8.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.369 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.29 138.94 49.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' CG ' ' ND1' ' A' ' 104' ' ' HIS . 6.5 t30 -96.61 -90.13 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.351 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' N ' ' CG ' ' A' ' 27' ' ' ASN . 3.7 mtt180 -113.14 -59.4 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.25 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.882 ' HB3' ' HB2' ' A' ' 90' ' ' ALA . 8.1 mt-30 -133.43 16.43 4.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.71 ' HZ ' HD11 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -136.12 138.7 42.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 111.026 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.95 135.96 62.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.963 HG12 HG12 ' A' ' 84' ' ' VAL . 18.1 m -119.8 118.34 56.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.669 ' CE1' ' CB ' ' A' ' 24' ' ' SER . 4.5 m-85 -98.89 119.34 37.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.42 1.075 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.807 HG21 ' HB1' ' A' ' 109' ' ' ALA . 4.4 p -143.99 168.84 19.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.416 ' C ' ' OD2' ' A' ' 81' ' ' ASP . 1.7 t -175.96 178.52 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 108.264 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 8.4 m-20 -119.3 -52.21 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 5.7 t-20 76.58 -67.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.351 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -163.12 46.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 70.65 131.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.309 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.677 HD13 ' OD1' ' A' ' 81' ' ' ASP . 0.2 OUTLIER -107.38 -168.37 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.307 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.433 ' N ' HG23 ' A' ' 40' ' ' ILE . 1.4 t0 -138.7 6.79 2.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.682 ' HB3' HD12 ' A' ' 3' ' ' LEU . 1.8 p-80 -172.35 151.45 2.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.609 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.935 ' CE2' HG21 ' A' ' 77' ' ' ILE . 17.9 p90 -101.26 65.64 1.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.514 ' CG ' HG12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -54.63 138.28 41.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.322 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.085 HD11 ' CD1' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -99.63 134.23 42.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.622 ' O ' HG23 ' A' ' 83' ' ' ILE . . . -115.75 98.22 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.468 HD11 HG21 ' A' ' 66' ' ' ILE . 28.1 mm -77.22 115.22 18.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.555 0.797 . . . . 0.0 109.344 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.877 ' CB ' HG23 ' A' ' 85' ' ' ILE . 5.2 m -126.77 164.34 21.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 48' ' ' SER . 8.8 t -161.81 147.81 4.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.53 ' H ' HD12 ' A' ' 53' ' ' LEU . 30.9 t -94.72 162.08 13.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.28 -0.58 56.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.39 -19.08 22.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 88' ' ' GLN . 2.1 mt -50.84 -77.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.535 ' HA3' ' CD1' ' A' ' 58' ' ' LEU . . . -176.93 -115.9 0.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.79 HD22 HG12 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -97.9 -173.0 2.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 0.784 . . . . 0.0 109.328 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.79 -23.1 42.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.464 1.102 . . . . 0.0 109.24 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.79 HG12 HD22 ' A' ' 55' ' ' ASN . 1.7 p -62.09 -28.23 44.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.244 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.968 HD22 ' O ' ' A' ' 91' ' ' LYS . 12.9 mt -78.74 -39.97 34.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.709 ' HG2' HG21 ' A' ' 49' ' ' VAL . 5.1 tmm_? -72.0 -4.61 29.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 110.211 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.426 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -99.13 -22.89 15.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.487 ' HA ' ' CD ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -96.13 -27.78 14.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.237 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.974 HG21 ' HB2' ' A' ' 86' ' ' ALA . 78.0 mt -77.88 -29.46 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.511 ' CG ' ' N ' ' A' ' 64' ' ' ARG . 0.5 OUTLIER -84.8 -56.98 3.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.357 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.511 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 2.3 ptm85 -43.74 -44.98 6.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.604 ' CB ' HG21 ' A' ' 98' ' ' ILE . . . -50.31 -35.32 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.878 HD13 ' CG2' ' A' ' 84' ' ' VAL . 65.1 mt -75.94 -41.85 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -65.79 -11.17 43.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.463 ' OE2' ' CG2' ' A' ' 95' ' ' THR . 1.8 pt-20 -121.22 -3.41 9.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 110.337 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.8 ' OD1' HD13 ' A' ' 102' ' ' LEU . 15.9 t-20 -111.34 -42.0 4.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 1.085 ' CD1' HD11 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -86.7 3.99 42.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 110.934 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -106.34 2.61 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.637 ' CG1' ' O ' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -104.06 -52.95 7.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.341 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.695 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 8.9 p80 -85.26 10.01 13.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.635 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' HA ' ' HB ' ' A' ' 77' ' ' ILE . 5.4 tttp -68.17 -7.44 30.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.0 p -86.48 -39.68 16.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.974 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.6 ' CE1' ' CB ' ' A' ' 73' ' ' HIS . 3.0 p-80 -99.65 14.17 31.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.613 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.935 HG21 ' CE2' ' A' ' 43' ' ' PHE . 1.3 tp -75.29 158.16 5.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.884 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -126.3 143.74 51.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.576 1.173 . . . . 0.0 109.326 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -60.65 134.66 57.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.57 ' CA ' HG21 ' A' ' 40' ' ' ILE . 0.0 OUTLIER 162.24 118.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.677 ' OD1' HD13 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -33.55 111.39 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.362 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.621 HG13 HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -127.04 151.13 33.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.63 HD13 ' CE1' ' A' ' 15' ' ' PHE . 29.8 mt -155.2 129.98 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.963 HG12 HG12 ' A' ' 32' ' ' VAL . 15.9 m -116.05 109.36 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.877 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.6 OUTLIER -113.93 159.16 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.974 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -92.85 126.34 37.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.481 ' CG ' ' HD2' ' A' ' 89' ' ' PRO . 9.1 tpt180 -42.84 -86.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.569 ' O ' HD23 ' A' ' 53' ' ' LEU . 2.5 mt-30 -172.76 -57.09 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.329 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' A' ' 88' ' ' GLN . 18.0 Cg_endo -75.12 5.63 3.92 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.554 1.818 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.936 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -90.03 22.18 3.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.968 ' O ' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -73.8 -37.77 64.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.244 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.427 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 5.8 m-20 -99.18 44.27 1.03 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.936 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -95.86 -162.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.522 ' O ' HD12 ' A' ' 98' ' ' ILE . 24.3 p -152.49 148.54 27.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.463 ' CG2' ' OE2' ' A' ' 68' ' ' GLU . 1.3 m -44.87 -23.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.466 1.104 . . . . 0.0 110.376 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.44 ' N ' ' C ' ' A' ' 94' ' ' THR . 1.4 tm? -77.58 -47.33 19.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 94' ' ' THR . 1.4 mm-40 -55.14 -50.99 67.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.757 ' CG2' HD12 ' A' ' 102' ' ' LEU . 3.5 mp -48.05 -37.69 6.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.46 ' CG ' ' O ' ' A' ' 95' ' ' THR . 0.3 OUTLIER -70.42 -36.93 74.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 110.302 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -72.45 -14.33 61.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.2 m -101.17 -49.56 4.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.036 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.8 HD13 ' OD1' ' A' ' 69' ' ' ASN . 0.3 OUTLIER -53.5 -27.92 28.12 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.572 1.17 . . . . 0.0 109.258 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -0.23 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.921 ' NE2' HD11 ' A' ' 108' ' ' ILE . 1.1 t-160 -132.7 -71.31 0.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.613 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.672 HG22 HG22 ' A' ' 32' ' ' VAL . 9.9 p -39.27 -52.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.153 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 1.069 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -64.57 -43.39 94.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.688 ' HA ' ' CZ ' ' A' ' 112' ' ' PHE . 9.0 tttt -48.57 -26.41 2.2 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.921 HD11 ' NE2' ' A' ' 104' ' ' HIS . 0.2 OUTLIER -83.76 -34.44 10.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.807 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -64.45 -36.55 84.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.59 1.182 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 75.65 52.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.604 1.19 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.069 HG22 HD13 ' A' ' 106' ' ' LEU . 21.2 m -107.94 -8.09 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.566 1.166 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.915 ' O ' ' CD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -112.27 106.17 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.71 ' CG ' HD12 ' A' ' 78' ' ' LEU . 42.5 m-20 -32.58 -41.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.579 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 49.2 mttt -147.03 -97.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.36 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.542 ' HD3' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 164.41 92.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 1.7 mt -46.1 154.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.578 1.174 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.529 0.204 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.505 HD23 ' H ' ' A' ' 3' ' ' LEU . 0.2 OUTLIER 176.38 -151.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.144 HD22 ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 84.43 -161.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.51 ' H ' ' CD1' ' A' ' 3' ' ' LEU . 53.7 tt0 80.24 -116.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.341 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HA ' ' CD ' ' A' ' 8' ' ' ARG . 5.6 ptmm? -64.99 -6.34 8.33 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.71 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . -83.84 -5.68 59.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 1.144 ' CE1' HD22 ' A' ' 3' ' ' LEU . 4.2 m-85 -148.88 21.14 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.947 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' CD ' ' HA ' ' A' ' 5' ' ' LYS . 7.0 ptm180 -94.33 165.19 12.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.08 . . . . 0.0 110.329 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.689 HG21 ' CE1' ' A' ' 15' ' ' PHE . 14.0 mm -114.88 113.11 42.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.612 1.195 . . . . 0.0 109.261 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -43.04 -26.71 0.16 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.474 1.109 . . . . 0.0 109.35 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' CB ' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER 88.89 -13.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' GLN . 7.8 t30 -122.0 -90.04 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 12' ' ' ASN . . . -48.92 -52.03 26.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.499 ' O ' ' CG1' ' A' ' 18' ' ' ILE . 3.8 m-20 -56.43 -20.21 18.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 1.186 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.689 ' CE1' HG21 ' A' ' 9' ' ' ILE . 1.5 m-85 -98.17 -30.69 12.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 12' ' ' ASN . 1.4 pp0? -77.14 -37.01 54.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HG3' ' CD1' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -65.52 -11.47 43.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.55 HG21 ' HB3' ' A' ' 33' ' ' TYR . 2.8 mm -91.92 -55.41 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.782 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 7.2 m-85 -61.91 -16.01 47.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -77.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -131.34 14.81 5.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.379 1.05 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -69.15 169.92 42.34 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.522 1.138 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -119.89 105.42 11.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 0.727 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.673 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 79.1 p -86.08 156.59 20.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.044 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.587 ' CG2' HG23 ' A' ' 32' ' ' VAL . 34.7 m -142.18 125.03 14.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.67 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -120.72 137.87 54.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.595 ' OD1' ' O ' ' A' ' 30' ' ' PHE . 1.2 p-10 -87.12 -88.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.482 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 3.1 mtt180 -122.55 -43.58 2.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.929 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 1.2 pp0? -144.75 36.22 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.348 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.679 ' HE2' HD11 ' A' ' 66' ' ' ILE . 15.6 t80 -161.64 139.11 8.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.771 HG23 HD12 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -127.99 144.1 38.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.604 1.19 . . . . 0.0 109.258 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.838 HG12 HG12 ' A' ' 84' ' ' VAL . 15.1 m -131.75 105.04 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.782 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 5.7 m-85 -80.79 124.35 28.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.91 HG21 ' HB1' ' A' ' 109' ' ' ALA . 40.3 p -141.97 150.05 40.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 110.463 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 34' ' ' THR . 0.5 OUTLIER 164.31 -178.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 108.273 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -141.98 -176.01 4.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' O ' ' CB ' ' A' ' 38' ' ' LYS . 12.5 t-20 -143.92 15.61 1.74 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 37' ' ' ASN . 3.6 mtpt 167.5 -76.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.332 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -178.73 107.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.218 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.672 HG23 ' HB1' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -91.32 -161.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.533 ' O ' ' CG ' ' A' ' 42' ' ' HIS . 8.7 t0 -168.02 26.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 109.329 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.556 ' N ' ' HB1' ' A' ' 79' ' ' ALA . 6.6 m-70 -160.78 158.49 28.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.593 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 49.7 p90 -109.13 118.02 35.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mtm-85 -110.55 78.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.91 ' O ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -83.38 119.85 25.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.536 ' O ' HG22 ' A' ' 84' ' ' VAL . . . -102.55 -174.24 27.09 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.477 1.111 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 63' ' ' LYS . 15.7 mt -135.77 113.74 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.489 0.758 . . . . 0.0 109.318 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.908 ' HB3' HG23 ' A' ' 85' ' ' ILE . 3.2 m -133.01 161.16 35.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.783 HG12 HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -123.08 -158.75 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.453 ' HB3' HD12 ' A' ' 53' ' ' LEU . 15.3 t -106.89 174.57 5.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.938 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -1.66 55.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -110.77 -20.49 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.783 HD13 HG12 ' A' ' 49' ' ' VAL . 0.8 OUTLIER -79.81 -104.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.261 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.489 ' N ' HD21 ' A' ' 58' ' ' LEU . . . 49.97 98.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.127 . . . . 0.0 111.001 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.642 ' HB2' ' CD2' ' A' ' 58' ' ' LEU . 2.2 t30 -171.0 -178.87 2.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 109.226 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.439 ' O ' ' ND2' ' A' ' 60' ' ' ASN . . . -101.69 -21.83 14.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.244 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.415 HG12 HD22 ' A' ' 55' ' ' ASN . 0.7 OUTLIER -85.51 -32.94 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.825 HD12 ' N ' ' A' ' 59' ' ' ARG . 3.9 pp -83.85 -44.47 14.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.825 ' N ' HD12 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -67.6 -3.5 9.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.16 . . . . 0.0 110.308 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.464 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.6 m-20 -100.94 -14.9 17.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.97 -8.1 10.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.841 HD11 ' O ' ' A' ' 90' ' ' ALA . 58.0 mt -107.36 -25.66 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.49 ' HE2' HG21 ' A' ' 47' ' ' ILE . 10.0 mtpt -102.19 -30.99 10.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 1.073 . . . . 0.0 109.259 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.464 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 9.1 ttt180 -62.07 -70.47 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.215 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.736 ' HB3' HG12 ' A' ' 98' ' ' ILE . . . -54.73 -32.11 59.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.822 HD13 ' O ' ' A' ' 62' ' ' ILE . 1.6 mp -66.28 -41.05 88.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.19 1.76 34.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 10.1 tt0 -119.84 -0.86 10.59 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.563 ' O ' HG22 ' A' ' 72' ' ' VAL . 10.0 t-20 -98.16 -60.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.621 ' CE2' HG12 ' A' ' 77' ' ' ILE . 1.5 m-85 -68.47 -16.01 63.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 111.046 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.09 -44.43 76.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 69' ' ' ASN . 3.7 m -77.9 -42.06 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.646 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 94.6 m-70 -80.01 6.52 11.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 43' ' ' PHE . 14.9 ttmt -50.48 -45.22 56.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.45 8.95 10.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.646 ' CD2' ' HA ' ' A' ' 73' ' ' HIS . 0.9 OUTLIER -109.99 -36.54 5.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.666 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.628 ' C ' HD13 ' A' ' 78' ' ' LEU . 1.5 mp -72.28 143.92 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.968 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -108.54 171.26 7.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.672 ' HB1' HG23 ' A' ' 40' ' ' ILE . . . -59.29 115.09 2.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 1.1 tttp 177.2 113.88 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 34' ' ' THR . 0.8 OUTLIER -47.22 103.06 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.404 1.065 . . . . 0.0 109.265 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.883 HD13 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -110.76 159.36 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.357 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.883 ' N ' HD13 ' A' ' 82' ' ' ILE . 3.0 mt -160.74 112.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.838 HG12 HG12 ' A' ' 32' ' ' VAL . 10.8 m -94.17 118.61 40.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.908 HG23 ' HB3' ' A' ' 48' ' ' SER . 0.6 OUTLIER -119.32 150.68 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 49' ' ' VAL . . . -88.15 129.59 35.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.646 1.216 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.512 ' HG2' ' CG1' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -53.57 -69.13 0.13 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 110.215 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.521 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 170.29 -50.15 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.22 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.5 Cg_endo -74.94 2.07 7.0 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.8 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.929 ' HB2' ' HB2' ' A' ' 29' ' ' GLN . . . -89.63 43.48 1.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.39 1.056 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.531 ' HA ' HD21 ' A' ' 53' ' ' LEU . 60.2 tttt -90.72 -46.88 7.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -96.63 29.48 2.95 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 109.342 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.898 ' HE3' ' HB1' ' A' ' 90' ' ' ALA . 2.7 ptp -63.18 -158.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.946 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.779 ' O ' HD12 ' A' ' 98' ' ' ILE . 27.9 p -156.8 147.19 21.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 110.376 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.747 ' HA ' HD13 ' A' ' 98' ' ' ILE . 1.4 m -45.53 -20.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.976 ' O ' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -83.51 -48.68 10.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.367 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' CG ' ' OG1' ' A' ' 94' ' ' THR . 3.8 mm-40 -46.05 -37.26 6.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.779 HD12 ' O ' ' A' ' 94' ' ' THR . 4.7 mp -57.54 -69.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 96' ' ' LEU . 4.8 pt20 -59.02 -16.19 17.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.408 ' ND2' HD11 ' A' ' 96' ' ' LEU . 1.3 t-20 -80.41 -31.1 37.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 104' ' ' HIS . 11.9 p -91.18 -54.81 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 110.045 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.614 ' HB3' HD23 ' A' ' 106' ' ' LEU . 0.4 OUTLIER -47.11 -34.14 5.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -1.78 2.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.255 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.809 ' NE2' HD11 ' A' ' 108' ' ' ILE . 1.9 t-160 -136.91 -74.29 0.43 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.621 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.693 HG22 HG22 ' A' ' 32' ' ' VAL . 4.4 p -42.04 -41.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.775 HD21 ' CE2' ' A' ' 112' ' ' PHE . 0.1 OUTLIER -76.05 -41.08 51.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.419 1.074 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -52.35 -31.54 33.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.809 HD11 ' NE2' ' A' ' 104' ' ' HIS . 24.7 mt -82.15 -42.73 19.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.91 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -37.74 -31.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.488 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 32.2 tttt 86.79 15.23 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.22 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.658 ' CG2' ' CD1' ' A' ' 106' ' ' LEU . 7.2 m -91.72 29.12 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.775 ' CE2' HD21 ' A' ' 106' ' ' LEU . 0.1 OUTLIER -136.88 123.05 20.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.399 1.062 . . . . 0.0 110.981 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.673 HD22 HD12 ' A' ' 78' ' ' LEU . 10.9 p30 -80.38 -48.62 12.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.494 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -109.56 -4.54 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.592 ' HA ' ' CG ' ' A' ' 112' ' ' PHE . 0.0 OUTLIER 37.32 46.63 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -51.94 156.74 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.0 tttt . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.4 mtt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.561 0.22 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.411 ' O ' ' CB ' ' A' ' 3' ' ' LEU . 1.2 tt -148.08 -131.1 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.135 HD22 ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 81.59 -161.76 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.502 ' H ' ' CD1' ' A' ' 3' ' ' LEU . 29.3 tt0 80.36 -116.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -63.66 -6.67 5.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.676 ' C ' ' CD1' ' A' ' 7' ' ' TYR . . . -85.49 -7.6 58.81 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.459 1.099 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 1.135 ' CE1' HD22 ' A' ' 3' ' ' LEU . 4.1 m-85 -147.74 16.0 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -110.38 124.57 51.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.097 . . . . 0.0 110.328 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.775 HG23 ' HB3' ' A' ' 14' ' ' ASP . 31.1 mt -81.6 98.22 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -112.81 5.89 17.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.26 149.6 23.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' GLN . 71.9 m-20 -69.65 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.33 -48.15 25.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.775 ' HB3' HG23 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -54.93 -32.19 60.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.9 OUTLIER -85.97 -34.79 20.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' ASN . 0.4 OUTLIER -72.33 -47.8 46.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.15 -25.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.531 HD11 ' OD2' ' A' ' 81' ' ' ASP . 4.8 mm -87.07 -49.29 14.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.752 ' CD1' ' CD2' ' A' ' 33' ' ' TYR . 5.2 m-85 -71.85 -2.33 17.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 111.056 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -103.91 -86.6 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -80.79 -25.22 38.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 18' ' ' ILE . . . -59.45 167.23 8.2 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.56 1.163 . . . . 0.0 111.031 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -130.89 108.05 9.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 0.741 . . . . 0.0 109.583 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.598 ' HB3' ' CD2' ' A' ' 33' ' ' TYR . 52.4 p -93.02 155.98 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.626 HG11 HG22 ' A' ' 108' ' ' ILE . 27.7 m -136.42 135.14 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' HA ' HG23 ' A' ' 105' ' ' VAL . . . -121.95 138.3 54.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.646 ' CG ' ' H ' ' A' ' 28' ' ' ARG . 4.6 p-10 -90.0 -82.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.303 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.646 ' H ' ' CG ' ' A' ' 27' ' ' ASN . 5.9 mmt180 -123.1 -52.12 1.87 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -131.43 6.01 4.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.276 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.643 ' HB3' HG21 ' A' ' 105' ' ' VAL . 0.2 OUTLIER -113.98 153.02 30.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.918 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -146.84 110.55 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.062 HG12 HG12 ' A' ' 84' ' ' VAL . 15.9 m -104.2 120.48 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.752 ' CD2' ' CD1' ' A' ' 19' ' ' TYR . 8.9 m-85 -98.5 110.55 23.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.629 HG22 ' HA ' ' A' ' 82' ' ' ILE . 73.1 p -129.67 170.82 13.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.117 . . . . 0.0 110.371 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 53.8 t -150.79 90.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 108.339 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -61.22 -172.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.43 80.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.235 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' HB3' HD11 ' A' ' 40' ' ' ILE . 0.8 OUTLIER 176.85 -48.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.599 ' C ' HD13 ' A' ' 40' ' ' ILE . 5.8 pt-20 40.17 95.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.862 HD13 ' N ' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -89.2 -150.28 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 109.272 179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.72 7.08 6.78 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.531 1.145 . . . . 0.0 109.246 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -162.15 119.83 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.591 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.607 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 54.8 p90 -64.99 113.69 4.05 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 111.028 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.489 ' NE ' ' O ' ' A' ' 80' ' ' LYS . 10.8 mtm180 -72.53 95.03 1.75 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.122 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.879 HD21 ' CD2' ' A' ' 70' ' ' PHE . 0.6 OUTLIER -80.15 97.28 6.82 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.531 1.144 . . . . 0.0 109.254 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -107.25 144.44 15.94 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 43.1 mt -132.0 133.53 60.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.759 . . . . 0.0 109.21 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.998 ' CB ' HG23 ' A' ' 85' ' ' ILE . 3.1 m -138.33 163.43 31.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.604 HG11 ' HB3' ' A' ' 59' ' ' ARG . 2.2 t -148.55 173.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.548 ' H ' HG12 ' A' ' 49' ' ' VAL . 29.8 t -114.37 161.77 17.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 110.037 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -96.29 1.43 52.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.357 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -98.66 -14.47 19.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.986 HD23 ' HB3' ' A' ' 58' ' ' LEU . 0.2 OUTLIER -35.69 -68.0 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.65 ' HA3' HD12 ' A' ' 58' ' ' LEU . . . 166.38 -37.95 0.25 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.099 . . . . 0.0 110.996 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 44.6 t30 -172.36 170.65 4.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.32 71.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.218 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.2 p -67.06 -26.33 36.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.986 ' HB3' HD23 ' A' ' 53' ' ' LEU . 95.7 mt -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.604 ' HB3' HG11 ' A' ' 49' ' ' VAL . 14.3 mtm180 -71.14 -7.89 49.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 64' ' ' ARG . 1.0 OUTLIER -95.48 -33.51 12.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.547 1.155 . . . . 0.0 109.244 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -69.25 -41.23 77.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.289 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 1.045 HG21 ' HB2' ' A' ' 86' ' ' ALA . 2.0 mt -69.12 -28.29 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.231 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 66' ' ' ILE . 20.0 tttt -86.05 -63.37 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.162 . . . . 0.0 109.344 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.525 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 10.7 ptp180 -38.27 -44.06 0.84 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.265 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.627 ' CB ' HD13 ' A' ' 98' ' ' ILE . . . -69.41 -45.28 69.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.739 ' CD1' HG21 ' A' ' 84' ' ' VAL . 0.8 OUTLIER -58.06 -27.01 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.58 -1.22 57.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.06 -35.83 8.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.408 ' C ' ' N ' ' A' ' 71' ' ' LYS . 5.1 t-20 -75.27 -64.95 0.95 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.982 ' CZ ' HD11 ' A' ' 82' ' ' ILE . 1.8 m-85 -45.93 -21.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER -59.11 -49.17 78.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 69' ' ' ASN . 3.1 m -80.91 -40.79 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.573 ' HA ' ' CD2' ' A' ' 76' ' ' HIS . 80.6 m-70 -73.47 -2.54 22.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 70' ' ' PHE . 1.5 ttpm? -47.29 -25.45 0.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.52 -23.76 14.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.602 ' CE1' ' O ' ' A' ' 115' ' ' LYS . 5.2 m170 -72.41 -33.15 66.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.575 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.644 ' C ' HD13 ' A' ' 78' ' ' LEU . 1.5 mp -72.43 154.02 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.968 HD13 ' N ' ' A' ' 78' ' ' LEU . 0.0 OUTLIER -138.89 160.28 40.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.592 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -48.83 145.8 3.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.594 ' HD2' HD23 ' A' ' 78' ' ' LEU . 26.9 mttt 155.79 -107.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' OD2' HD11 ' A' ' 18' ' ' ILE . 0.4 OUTLIER -170.66 95.77 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.982 HD11 ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -112.99 130.96 65.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.576 1.173 . . . . 0.0 109.266 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 33' ' ' TYR . 4.1 mt -151.5 110.94 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.069 ' C ' HD13 ' A' ' 85' ' ' ILE . 10.1 m -100.14 124.27 53.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.069 HD13 ' C ' ' A' ' 84' ' ' VAL . 0.1 OUTLIER -114.03 153.85 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 1.045 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -89.75 96.89 10.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER -32.3 -69.5 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.52 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.8 OUTLIER 168.02 -50.12 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 110.286 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -74.96 6.88 3.11 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.542 1.811 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.714 ' HB1' ' HE2' ' A' ' 93' ' ' MET . . . -85.35 3.28 40.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.761 ' HB2' HD13 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -72.71 -31.3 64.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.45 ' N ' ' HD3' ' A' ' 91' ' ' LYS . 3.4 m-20 -83.59 -16.06 46.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.714 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -58.31 177.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 110.969 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.784 ' O ' HD12 ' A' ' 98' ' ' ILE . 64.4 p -123.09 166.79 14.57 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.37 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.425 ' HA ' HD13 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -64.59 -8.35 13.86 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.468 1.105 . . . . 0.0 110.382 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.4 ' HA ' ' NE2' ' A' ' 99' ' ' GLN . 1.8 tm? -98.49 -44.87 6.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.496 ' CB ' ' HG2' ' A' ' 93' ' ' MET . 1.5 mm-40 -49.05 -42.05 37.14 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.461 1.101 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.784 HD12 ' O ' ' A' ' 94' ' ' THR . 1.1 mp -39.97 -60.15 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.4 ' NE2' ' HA ' ' A' ' 96' ' ' LEU . 7.2 mt-30 -54.18 -36.56 63.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.57 1.169 . . . . 0.0 110.347 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 97' ' ' GLN . 2.0 m-20 -68.58 -33.6 74.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.549 1.156 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.583 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 1.1 m -71.62 -53.05 14.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.053 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 66' ' ' ILE . 0.6 OUTLIER -54.21 -20.22 6.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -2.68 18.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.535 ' CD2' ' HB3' ' A' ' 27' ' ' ASN . 1.4 t-160 -135.72 -74.98 0.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.532 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.742 HG22 HG22 ' A' ' 32' ' ' VAL . 4.1 p -37.95 -52.96 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.955 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -69.36 -44.33 71.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.674 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 1.8 tttt -51.17 -22.05 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 109.347 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.626 HG22 HG11 ' A' ' 25' ' ' VAL . 3.5 mt -90.91 -44.51 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.836 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -52.07 -41.23 62.21 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 109.369 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 29.7 tttt 81.07 32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.955 HG22 HD13 ' A' ' 106' ' ' LEU . 27.7 m -90.34 20.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.674 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 2.8 p90 -137.83 125.23 21.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 111.047 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.608 HD22 HD12 ' A' ' 78' ' ' LEU . 13.4 p30 -73.68 -48.07 35.0 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.14 . . . . 0.0 109.351 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.529 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 1.9 tttt 163.61 -91.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.602 ' O ' ' CE1' ' A' ' 76' ' ' HIS . 0.0 OUTLIER 32.02 44.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 0.0 109.258 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -48.01 150.67 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.4 tmtt? . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 109.319 179.926 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' O ' ' O ' ' A' ' 2' ' ' LEU . 16.4 mtp . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.472 0.177 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 1' ' ' MET . 60.2 mt -43.13 166.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.6 1.187 . . . . 0.0 109.322 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.848 HD12 ' CB ' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -47.39 170.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.702 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 2.3 tt0 -121.88 -160.12 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.391 1.057 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.651 ' O ' ' N ' ' A' ' 8' ' ' ARG . 8.6 ptmt -69.77 -0.59 7.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.936 ' HB3' ' HB2' ' A' ' 42' ' ' HIS . . . -40.79 -29.8 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.356 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.763 ' HD2' HD11 ' A' ' 3' ' ' LEU . 0.9 OUTLIER -76.52 13.21 1.02 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 111.006 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.651 ' N ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -139.19 86.28 2.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 179.924 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.775 HG21 ' HD1' ' A' ' 15' ' ' PHE . 57.5 mt -70.06 105.63 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.233 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -103.77 5.04 35.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.358 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.38 -168.98 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' PHE . 33.5 m-20 -111.47 -44.02 3.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.432 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . . . -48.07 -42.99 30.15 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HB2' HG23 ' A' ' 9' ' ' ILE . 20.5 m-20 -57.64 -30.7 65.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.775 ' HD1' HG21 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -86.55 -41.14 14.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 111.016 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' NE2' ' HA ' ' A' ' 13' ' ' ALA . 4.4 pt20 -62.69 -39.47 94.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -58.97 -26.21 64.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.52 1.137 . . . . 0.0 110.234 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.487 HD12 ' CD1' ' A' ' 83' ' ' ILE . 0.8 OUTLIER -76.98 -59.25 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -59.87 -14.28 14.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.02 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.258 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -123.36 3.86 9.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.14 164.9 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.425 ' N ' ' O ' ' A' ' 34' ' ' THR . 2.5 t-160 -117.27 99.55 7.1 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.497 0.763 . . . . 0.0 109.598 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.7 ' CB ' ' CE1' ' A' ' 33' ' ' TYR . 92.5 p -88.67 154.82 20.0 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.428 1.08 . . . . 0.0 109.988 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.664 HG22 HG23 ' A' ' 32' ' ' VAL . 17.9 m -131.73 -155.71 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' O ' ' A' ' 25' ' ' VAL . . . 167.81 131.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.848 ' ND2' ' H ' ' A' ' 28' ' ' ARG . 0.9 OUTLIER -100.05 -59.03 1.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.077 . . . . 0.0 109.276 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.848 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 32.9 mtm-85 -130.03 -74.19 0.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.552 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 3.4 pm0 -122.38 -4.52 8.85 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.468 1.105 . . . . 0.0 110.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.764 ' CZ ' HG23 ' A' ' 98' ' ' ILE . 0.1 OUTLIER -105.18 134.62 47.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG22 HD12 ' A' ' 85' ' ' ILE . 0.2 OUTLIER -125.6 117.85 50.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.076 ' CG1' HG12 ' A' ' 84' ' ' VAL . 19.0 m -99.24 119.08 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.743 ' CD1' ' CD1' ' A' ' 85' ' ' ILE . 0.9 OUTLIER -95.87 117.69 31.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.497 HG21 ' HB1' ' A' ' 109' ' ' ALA . 33.9 p -123.12 167.7 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.392 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 14.0 p -116.28 168.74 9.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 108.28 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -74.75 -64.09 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 72.96 -170.7 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.22 -52.97 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -170.65 72.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 110.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.746 ' CG2' ' HB1' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -80.39 -171.97 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.627 1.204 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -136.74 7.97 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.936 ' HB2' ' HB3' ' A' ' 6' ' ' ALA . 0.4 OUTLIER -161.39 159.95 28.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.589 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' CE2' ' CB ' ' A' ' 7' ' ' TYR . 37.0 p90 -109.17 -175.06 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.587 ' HB3' ' CD1' ' A' ' 9' ' ' ILE . 2.0 mtt-85 -135.09 104.36 5.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.377 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.706 ' CD2' ' CE1' ' A' ' 70' ' ' PHE . 12.0 mt -91.31 101.29 13.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 83' ' ' ILE . . . -124.38 148.04 16.67 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.567 HG13 HG21 ' A' ' 66' ' ' ILE . 4.5 mp -112.84 136.09 50.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.464 0.743 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.792 ' HB3' HG23 ' A' ' 85' ' ' ILE . 1.2 m -135.79 147.39 48.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.042 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.823 HG21 ' HG3' ' A' ' 59' ' ' ARG . 87.6 t -134.91 167.89 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 49' ' ' VAL . 29.3 t -95.72 163.13 13.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.939 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.9 mtmm -101.19 1.27 38.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 53' ' ' LEU . 0.0 OUTLIER -104.53 -19.62 13.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.787 HD22 HD13 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -37.57 -66.42 0.25 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 109.294 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.703 ' HA3' HD21 ' A' ' 58' ' ' LEU . . . 164.15 -109.32 0.37 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.698 ' O ' HD11 ' A' ' 58' ' ' LEU . 9.0 t30 -88.03 -158.68 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 0.795 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.72 -21.67 14.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 p -66.36 -36.38 77.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.838 HD12 ' N ' ' A' ' 59' ' ' ARG . 0.2 OUTLIER -76.71 -21.51 55.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.299 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.838 ' N ' HD12 ' A' ' 58' ' ' LEU . 31.2 ttt180 -90.6 -8.98 48.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 110.265 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.506 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 0.9 OUTLIER -92.23 -30.73 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.545 ' O ' HD13 ' A' ' 98' ' ' ILE . 2.2 ttpt -76.21 -35.96 58.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.918 HG21 ' HB2' ' A' ' 86' ' ' ALA . 13.8 mt -68.48 -34.63 66.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.547 ' HG3' HG21 ' A' ' 47' ' ' ILE . 11.3 tttt -87.99 -43.06 12.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 6.3 ttt85 -46.84 -61.85 1.67 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.238 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.854 ' HB3' HG21 ' A' ' 98' ' ' ILE . . . -51.18 -50.29 59.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.337 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.747 HD13 HG23 ' A' ' 84' ' ' VAL . 95.2 mt -51.55 -52.68 19.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -8.24 31.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.268 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 68' ' ' GLU . 15.4 tt0 -109.8 -3.68 16.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.662 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 1.1 t30 -118.43 -9.48 10.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.706 ' CE1' ' CD2' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -97.52 -10.72 24.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.027 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.74 2.73 30.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.58 HG23 ' N ' ' A' ' 73' ' ' HIS . 8.5 m -97.08 -55.49 6.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.504 1.127 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.69 ' CE1' HD11 ' A' ' 77' ' ' ILE . 0.4 OUTLIER -101.49 18.38 20.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.427 1.079 . . . . 0.0 109.582 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 1.9 tttt -49.92 -22.36 1.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.6 m -89.12 -28.4 20.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.991 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.713 ' CD2' HD12 ' A' ' 116' ' ' ILE . 0.1 OUTLIER -77.23 -19.52 56.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.602 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.69 HD11 ' CE1' ' A' ' 73' ' ' HIS . 1.2 mp -81.07 133.59 28.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD11 ' N ' ' A' ' 113' ' ' ASN . 0.0 OUTLIER -104.2 -179.44 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.746 ' HB1' ' CG2' ' A' ' 40' ' ' ILE . . . -52.13 -176.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 79' ' ' ALA . 6.4 mttm 91.64 119.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.416 ' HA ' ' HB2' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -49.71 154.84 0.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.334 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.714 ' HB ' HG11 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -159.06 143.2 6.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.728 HG22 HG13 ' A' ' 85' ' ' ILE . 20.7 mt -157.38 104.35 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 1.076 HG12 ' CG1' ' A' ' 32' ' ' VAL . 27.6 m -85.43 89.5 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.792 HG23 ' HB3' ' A' ' 48' ' ' SER . 0.9 OUTLIER -82.66 158.35 3.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.273 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.918 ' HB2' HG21 ' A' ' 62' ' ' ILE . . . -96.05 104.34 16.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.519 ' C ' ' CG ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -35.16 -84.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.252 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.519 ' CG ' ' C ' ' A' ' 87' ' ' ARG . 0.0 OUTLIER -164.41 -56.77 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.25 -179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.519 ' HD2' ' H ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.0 9.52 2.0 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.465 1.771 . . . . 0.0 111.022 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.632 ' O ' HD11 ' A' ' 62' ' ' ILE . . . -79.5 12.73 2.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.504 ' HB3' ' CD2' ' A' ' 53' ' ' LEU . 2.9 pttp -84.42 -37.94 20.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.148 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.447 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.4 m-20 -76.07 -2.33 30.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.596 ' HE2' ' HB1' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -68.39 -170.04 0.18 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 93' ' ' MET . 6.7 p -154.84 156.69 36.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.444 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.583 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.4 m -47.71 -20.14 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 110.396 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.562 ' C ' HD13 ' A' ' 96' ' ' LEU . 2.6 tm? -78.95 -48.89 13.71 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.455 ' HG3' ' OG1' ' A' ' 94' ' ' THR . 39.0 mt-30 -64.73 -50.43 66.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.854 HG21 ' HB3' ' A' ' 65' ' ' ALA . 10.6 mt -43.77 -28.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' A' ' 97' ' ' GLN . 70.6 mt-30 -86.73 -40.36 15.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 97' ' ' GLN . 29.9 m-20 -68.86 -19.13 64.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.438 ' OG ' ' NE2' ' A' ' 29' ' ' GLN . 55.2 m -71.46 -56.33 6.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.985 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.475 HD13 ' ND2' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -49.8 -22.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -5.37 24.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.873 ' NE2' HD11 ' A' ' 108' ' ' ILE . 1.0 OUTLIER -140.04 -71.07 0.38 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.444 1.09 . . . . 0.0 109.672 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.56 HG21 ' HB3' ' A' ' 30' ' ' PHE . 9.9 p -36.15 -52.49 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.996 HD13 HG22 ' A' ' 111' ' ' VAL . 0.0 OUTLIER -65.39 -43.87 89.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.388 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.804 ' HA ' ' CE1' ' A' ' 112' ' ' PHE . 24.4 mttt -49.27 -21.67 0.88 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.873 HD11 ' NE2' ' A' ' 104' ' ' HIS . 6.7 mt -90.46 -38.81 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.875 ' HB2' ' CG2' ' A' ' 32' ' ' VAL . . . -58.98 -40.63 85.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.446 ' CG ' ' C ' ' A' ' 109' ' ' ALA . 0.0 OUTLIER 81.2 38.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.996 HG22 HD13 ' A' ' 106' ' ' LEU . 18.1 m -104.39 23.5 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.804 ' CE1' ' HA ' ' A' ' 107' ' ' LYS . 0.5 OUTLIER -145.31 121.15 10.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.743 ' N ' HD11 ' A' ' 78' ' ' LEU . 73.2 m-80 -39.54 -42.79 1.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.594 1.184 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.519 ' O ' ' CD2' ' A' ' 112' ' ' PHE . 1.3 tttp 177.87 -61.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.249 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER 162.59 97.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.713 HD12 ' CD2' ' A' ' 76' ' ' HIS . 0.8 OUTLIER -51.08 141.52 4.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.2 mtp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.5 0.191 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 48.55 -173.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.803 HD11 ' HE2' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -67.1 -164.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 109.351 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -124.61 -117.94 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 110.35 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.503 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 4.1 ptmt -69.67 -4.93 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.717 ' HA ' HD13 ' A' ' 3' ' ' LEU . . . 71.68 19.59 4.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.841 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 41.0 m-85 59.59 19.3 7.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.0 mtm-85 -78.5 111.74 14.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.6 HD11 ' HB2' ' A' ' 44' ' ' ARG . 15.6 mt -89.46 101.81 12.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.6 4.57 35.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -113.96 156.54 23.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.438 ' O ' ' N ' ' A' ' 15' ' ' PHE . 1.8 t-20 -83.58 -47.47 11.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -47.51 -45.41 26.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.587 ' CB ' HG23 ' A' ' 9' ' ' ILE . 21.9 m-20 -54.49 -32.47 57.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.585 ' CE2' HG21 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -87.06 -39.32 15.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.59 -39.1 81.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -26.46 37.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.667 ' N ' HD13 ' A' ' 18' ' ' ILE . 1.3 mm -79.58 -58.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.733 ' CE1' ' CE2' ' A' ' 33' ' ' TYR . 5.7 m-85 -58.4 -14.82 8.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -49.38 -76.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.07 14.71 5.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -61.31 176.01 5.25 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 111.009 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -129.79 103.73 6.99 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.489 0.758 . . . . 0.0 109.648 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.506 ' HB3' ' CG ' ' A' ' 33' ' ' TYR . 70.9 p -95.13 137.49 34.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.038 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.656 HG11 HG22 ' A' ' 108' ' ' ILE . 27.1 m -114.81 128.7 71.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.514 ' HA ' ' O ' ' A' ' 30' ' ' PHE . . . -116.19 138.7 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.495 ' OD1' ' CE1' ' A' ' 104' ' ' HIS . 41.2 t30 -119.15 -142.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' C ' ' O ' ' A' ' 27' ' ' ASN . 40.2 mmt180 -33.54 -77.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.552 1.157 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.963 ' HB2' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -139.55 30.09 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.546 ' CE2' ' HB ' ' A' ' 84' ' ' VAL . 3.5 t80 -127.42 147.94 50.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.684 ' O ' HD12 ' A' ' 85' ' ' ILE . 0.3 OUTLIER -136.99 109.24 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.553 HG21 ' O ' ' A' ' 105' ' ' VAL . 26.9 m -106.54 126.7 62.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 109.281 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.733 ' CE2' ' CE1' ' A' ' 19' ' ' TYR . 3.8 m-85 -93.57 134.5 35.79 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 1.082 HG21 ' HB1' ' A' ' 109' ' ' ALA . 29.9 p -157.0 147.4 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 81' ' ' ASP . 1.9 p -107.41 155.61 19.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.089 . . . . 0.0 108.296 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -115.56 91.17 3.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 165.72 171.52 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.569 1.168 . . . . 0.0 109.372 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.88 101.21 11.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.339 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -115.87 -53.48 2.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 110.251 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.6 tt -139.47 175.25 7.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 109.289 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.518 ' C ' ' HB2' ' A' ' 79' ' ' ALA . 43.3 m-20 -119.27 15.07 13.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -138.98 117.52 12.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 109.624 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.841 ' CZ ' ' CZ ' ' A' ' 7' ' ' TYR . 39.7 p90 -64.08 96.99 0.16 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.586 1.179 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.6 ' HB2' HD11 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -71.37 128.21 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.95 ' CD2' HD12 ' A' ' 82' ' ' ILE . 13.9 mt -102.08 128.82 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.544 ' HA3' ' CE1' ' A' ' 15' ' ' PHE . . . -112.41 -54.47 0.48 Allowed Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.45 HG23 HD13 ' A' ' 66' ' ' ILE . 45.1 mt 66.78 129.98 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.537 0.787 . . . . 0.0 109.291 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.904 ' O ' HG23 ' A' ' 49' ' ' VAL . 2.6 m -148.74 160.89 42.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 48' ' ' SER . 3.0 t -167.08 165.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.551 ' H ' HD12 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -92.19 166.35 12.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.0 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -92.76 -13.36 29.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.307 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.92 -14.47 14.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 109.356 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.986 ' C ' HD13 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -114.49 -12.44 12.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.578 1.174 . . . . 0.0 109.343 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.541 ' HA3' ' CG1' ' A' ' 49' ' ' VAL . . . -109.56 36.46 4.3 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.14 . . . . 0.0 111.045 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.565 ' N ' ' HB2' ' A' ' 58' ' ' LEU . 41.0 t30 -41.86 167.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.341 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.99 -32.65 54.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -33.3 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.253 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.565 ' HB2' ' N ' ' A' ' 55' ' ' ASN . 17.5 mt -75.39 -45.34 39.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 54' ' ' GLY . 0.1 OUTLIER -67.44 -3.1 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 1.084 . . . . 0.0 110.273 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.423 ' O ' ' HB3' ' A' ' 64' ' ' ARG . 2.0 m-20 -103.67 -17.82 14.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -106.63 -18.87 13.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.41 HG21 ' HB2' ' A' ' 86' ' ' ALA . 30.3 mt -94.12 -37.34 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.317 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.498 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER -76.2 -41.78 48.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.524 ' CG ' ' N ' ' A' ' 65' ' ' ALA . 9.1 ptm180 -64.05 -44.36 92.7 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.524 ' N ' ' CG ' ' A' ' 64' ' ' ARG . . . -68.85 -9.52 51.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.371 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.624 HG12 HG21 ' A' ' 84' ' ' VAL . 15.0 mt -99.95 -29.85 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.209 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -93.3 -0.97 56.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 110.259 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.437 ' OE2' ' NE2' ' A' ' 99' ' ' GLN . 0.1 OUTLIER -117.81 -0.85 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.616 ' O ' ' CD2' ' A' ' 73' ' ' HIS . 2.2 t-20 -116.47 1.58 12.99 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.358 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.615 ' HZ ' HD11 ' A' ' 82' ' ' ILE . 0.5 OUTLIER -110.07 -39.49 5.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.919 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.8 pttt -74.14 -4.73 37.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.476 HG23 ' CD2' ' A' ' 73' ' ' HIS . 11.7 m -113.23 -43.66 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.616 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 43.5 m-70 -71.32 -17.56 62.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.078 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -58.87 -20.15 48.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 76' ' ' HIS . 0.4 OUTLIER -85.43 33.69 0.57 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.023 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.616 ' NE2' ' CE1' ' A' ' 112' ' ' PHE . 0.9 OUTLIER -178.88 -28.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.621 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.565 HD13 ' HB3' ' A' ' 73' ' ' HIS . 0.3 OUTLIER -60.18 137.89 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.358 179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.846 HD23 ' HD2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -115.34 174.49 5.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.614 ' O ' ' CB ' ' A' ' 80' ' ' LYS . . . -53.14 -167.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.846 ' HD2' HD23 ' A' ' 78' ' ' LEU . 37.3 mttt 96.28 118.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 35' ' ' CYS . 1.4 p30 -39.66 126.12 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.421 1.075 . . . . 0.0 109.263 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.95 HD12 ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -137.71 139.04 43.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.585 HG21 ' CE2' ' A' ' 15' ' ' PHE . 1.1 mt -153.53 119.07 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.624 HG21 HG12 ' A' ' 66' ' ' ILE . 11.4 m -99.34 115.07 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.901 HG23 ' CB ' ' A' ' 48' ' ' SER . 0.4 OUTLIER -120.31 150.85 23.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.324 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.505 ' CB ' HD11 ' A' ' 53' ' ' LEU . . . -82.07 109.2 16.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.508 ' N ' HG12 ' A' ' 31' ' ' VAL . 16.2 tpt85 -31.81 -70.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.567 ' N ' ' CD ' ' A' ' 89' ' ' PRO . 0.0 OUTLIER 164.31 -47.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 88' ' ' GLN . 18.2 Cg_endo -75.02 7.26 2.95 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.452 1.764 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.963 ' HB2' ' HB2' ' A' ' 29' ' ' GLN . . . -87.42 19.8 3.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.656 ' N ' HD23 ' A' ' 53' ' ' LEU . 0.0 OUTLIER -88.34 3.85 48.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -147.78 46.54 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.798 ' HE1' HD11 ' A' ' 98' ' ' ILE . 0.0 OUTLIER -127.37 -172.62 2.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.499 1.124 . . . . 0.0 111.023 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.471 ' O ' ' N ' ' A' ' 97' ' ' GLN . 8.6 p -134.07 150.51 51.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.418 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.823 ' HA ' HD12 ' A' ' 98' ' ' ILE . 1.5 m -43.74 -24.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.394 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' N ' ' C ' ' A' ' 94' ' ' THR . 2.8 tm? -65.9 -43.22 88.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.217 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' THR . 34.2 mt-30 -69.84 -24.75 63.49 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 110.27 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.823 HD12 ' HA ' ' A' ' 95' ' ' THR . 61.9 mt -72.65 -53.83 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.138 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.437 ' NE2' ' OE2' ' A' ' 68' ' ' GLU . 1.7 mm-40 -58.87 -35.28 72.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.29 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -68.51 -22.77 64.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.546 ' O ' ' N ' ' A' ' 105' ' ' VAL . 21.6 p -90.72 -55.64 3.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.831 ' O ' HD23 ' A' ' 106' ' ' LEU . 2.0 mt -48.58 -34.32 11.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.83 -6.6 22.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 110.35 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.685 ' C ' ' CD2' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -134.7 -68.7 0.53 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.592 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.553 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -42.07 -39.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.831 HD23 ' O ' ' A' ' 102' ' ' LEU . 0.1 OUTLIER -81.54 -37.44 27.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 104' ' ' HIS . 6.3 tmtt? -55.32 -34.99 64.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.107 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.656 HG22 HG11 ' A' ' 25' ' ' VAL . 37.4 mt -79.91 -34.18 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 1.082 ' HB1' HG21 ' A' ' 34' ' ' THR . . . -39.8 -29.47 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.534 ' CB ' ' O ' ' A' ' 109' ' ' ALA . 4.1 tptt 90.37 11.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.782 ' CG2' HD12 ' A' ' 106' ' ' LEU . 15.1 m -91.19 30.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.595 1.184 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.705 ' CE1' HD11 ' A' ' 106' ' ' LEU . 1.8 m-85 -130.34 122.87 28.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 110.963 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.834 ' N ' HD11 ' A' ' 78' ' ' LEU . 4.1 p30 -34.13 -46.84 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.229 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.487 ' N ' ' OD1' ' A' ' 113' ' ' ASN . 2.4 mtmt -166.46 -67.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.385 1.053 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -168.84 85.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.273 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.57 HD13 ' CD2' ' A' ' 112' ' ' PHE . 1.8 mp -40.97 160.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.117 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 116' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 stop_ save_