data_1wgq_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 1wgq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.502 0.192 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' HG22 ' A' ' 30' ' ' VAL . 89.9 p -159.5 122.66 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.495 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 177.81 149.94 8.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.616 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 34.9 m-85 -60.66 135.7 57.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 94' ' ' TRP . 2.1 mt -137.7 178.24 7.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -119.52 116.0 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -91.5 143.66 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -152.81 157.74 41.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.63 19.67 15.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.73 -170.88 22.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.5 m -79.9 150.65 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.29 -0.55 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -96.38 156.05 37.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.37 20.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 98.7 m95 -77.01 161.58 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.007 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -135.79 114.35 11.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.616 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 19.2 t-160 -79.76 108.85 13.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.57 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mt -141.43 165.7 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.495 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.6 t-105 -102.19 141.15 35.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.014 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -133.08 156.39 47.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.413 HG22 ' CB ' ' A' ' 11' ' ' SER . 29.4 t -150.18 152.97 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.9 mt -114.24 110.9 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.493 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 14.5 ttpp -138.19 140.56 39.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 51.9 25.38 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 68.39 30.33 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.2 t -122.36 137.47 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -92.09 97.92 11.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.521 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 48.9 m-85 -85.33 150.48 24.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.1 m -106.93 145.62 32.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 47' ' ' ALA . 55.5 m-85 -145.12 -172.55 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.31 -46.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.13 147.32 7.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . . . -69.05 140.1 54.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.3 mt -67.52 -40.34 85.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -150.29 166.6 29.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.521 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -142.03 128.17 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -140.62 122.32 9.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 146.03 32.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 mt -92.75 36.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.23 103.97 16.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.29 -20.22 45.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -67.59 176.35 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -150.39 171.12 17.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG23 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.07 155.97 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.471 ' CG2' HD13 ' A' ' 74' ' ' LEU . 1.4 t -165.2 153.51 11.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD22 ' CD1' ' A' ' 95' ' ' ILE . 1.4 tm? -78.28 144.87 35.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -120.33 6.12 10.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.17 137.09 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.492 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 1.7 p90 -125.29 177.98 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -130.3 143.49 50.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.8 tp -95.46 101.66 13.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -84.14 147.97 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 34.3 t-80 -137.03 96.4 3.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 84.12 -6.65 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 132.93 -23.16 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.3 ptm -94.44 143.81 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.8 124.7 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.501 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 20.4 t80 -91.45 -41.04 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 18.4 m-85 -167.43 156.55 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.1 t -95.65 160.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -153.91 128.63 9.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -109.6 133.59 52.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.9 155.63 18.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.81 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -113.88 -176.51 2.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.08 83.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -49.77 51.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.553 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.4 m -57.56 -57.33 13.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.2 m -39.26 -57.27 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -48.66 -46.78 40.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 97' ' ' ALA . 5.2 mtm180 -56.58 -57.67 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.444 ' CE2' HD11 ' A' ' 14' ' ' LEU . 64.2 m95 -54.92 -45.84 74.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.432 ' CD1' HD22 ' A' ' 60' ' ' LEU . 32.4 mt -53.66 -70.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -51.96 -34.58 42.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' ARG . . . -63.19 -38.79 92.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.453 ' CB ' HG23 ' A' ' 58' ' ' VAL . 10.5 m-85 -82.56 -26.37 32.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -76.22 -46.31 28.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.451 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.3 OUTLIER -73.52 -4.05 31.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.81 -44.16 6.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.6 p -72.95 -33.78 66.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 24.6 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.487 0.184 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.4 ' CB ' HG21 ' A' ' 30' ' ' VAL . 22.6 p -172.66 133.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.485 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 162.08 147.74 5.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.491 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 41.5 m-85 -58.97 131.12 50.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 0.81 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.549 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 22.8 mt -133.22 148.5 52.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -95.65 107.42 19.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 1.2 ttm180 -90.88 126.29 36.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.562 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -129.04 177.24 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.975 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.67 35.78 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' OG ' ' A' ' 17' ' ' SER . . . 140.99 -162.7 26.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -91.27 -57.92 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.8 -7.11 36.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -80.19 155.88 74.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.82 41.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CE3' ' HB3' ' A' ' 17' ' ' SER . 96.1 m95 -98.09 157.93 15.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 108.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -134.08 120.64 20.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.491 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 50.0 t-80 -75.77 115.8 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.649 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mt -145.85 169.89 17.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 33.7 t-105 -115.51 143.26 45.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -139.25 160.71 39.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' ILE . 13.9 t -152.01 163.46 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.476 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 42.8 mt -125.71 89.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -76.26 -102.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 18.3 t-20 -89.14 66.71 7.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 56.33 19.49 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.0 t -113.42 132.35 62.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -86.88 97.67 10.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 20.8 m-85 -87.02 135.67 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -90.78 140.86 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 47' ' ' ALA . 46.1 m-85 -140.43 -171.49 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.18 -46.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.37 163.82 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . . . -85.26 147.89 26.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.1 mt -71.04 -41.48 70.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -150.24 171.99 16.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -140.8 142.98 34.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -158.37 125.84 2.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.57 14.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.533 HD21 ' CD1' ' A' ' 98' ' ' PHE . 5.5 mt -68.19 -32.99 73.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.434 ' CD1' ' C ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -46.5 111.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.03 -38.9 2.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -71.39 -173.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.5 m -152.84 167.19 29.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.55 156.89 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.471 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.2 t -164.3 151.95 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.361 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 61' ' ' VAL . 2.7 tm? -76.69 142.03 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.42 ' N ' HD12 ' A' ' 60' ' ' LEU . 2.3 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -123.44 17.27 9.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 p -149.18 140.98 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -128.78 174.63 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -127.62 145.61 50.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' A' ' 98' ' ' PHE . 48.0 tp -95.0 97.98 10.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.471 HD11 ' CG2' ' A' ' 59' ' ' THR . 0.9 OUTLIER -81.54 145.78 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -137.4 112.73 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp 68.61 8.65 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.33 2.56 35.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.19 132.27 55.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 0.752 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -54.67 134.4 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.422 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 78.6 t80 -112.31 -30.39 7.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CE2' ' NH1' ' A' ' 16' ' ' ARG . 2.4 m-85 -170.9 158.5 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.94 157.07 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 70.3 m-85 -151.73 122.52 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -102.68 145.43 29.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.473 ' CB ' ' OG1' ' A' ' 91' ' ' THR . . . -106.39 158.04 17.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -51.56 37.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -117.08 -179.92 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.75 -57.02 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -47.13 -41.23 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 93' ' ' ARG . 22.9 m -56.3 -60.92 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.473 ' OG1' ' CB ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -39.89 -50.94 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -54.64 -43.67 72.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.5 mtm180 -59.29 -48.01 83.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.549 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 70.3 m95 -63.42 -48.78 76.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 108.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.2 mt -50.57 -68.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.8 -40.45 60.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -57.94 -49.72 75.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.543 ' CE1' HD13 ' A' ' 73' ' ' LEU . 3.4 m-85 -68.25 -45.94 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -60.65 -59.28 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.427 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 16.9 mt-10 -55.55 -24.9 34.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.65 -54.48 7.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.1 p -56.13 -35.22 66.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.371 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.427 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 34.8 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.509 ' HE1' ' CD1' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.489 0.185 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 p -178.4 148.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.49 161.57 9.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 49.6 m-85 -66.85 134.33 51.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.534 HD12 ' CZ2' ' A' ' 94' ' ' TRP . 51.7 mt -136.08 152.62 51.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.455 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 27.8 m-85 -94.95 113.21 24.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -93.14 139.9 30.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.497 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -142.65 168.17 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -104.48 22.17 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.1 -157.99 20.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 m -87.55 149.9 24.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 0.806 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm 76.88 1.23 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -99.69 156.14 35.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 153.31 41.72 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.497 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.5 m95 -91.41 158.3 16.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.43 120.01 18.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.651 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 33.8 t-80 -79.4 108.62 13.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.559 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mt -136.18 169.76 17.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.404 ' HE3' ' CD1' ' A' ' 13' ' ' TYR . 44.9 t-105 -109.16 130.37 55.49 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.78 135.71 48.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.2 t -128.77 154.69 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.2 mt -116.03 88.96 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -117.33 140.85 49.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 51.61 41.33 28.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.62 21.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.2 t -116.05 127.59 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLN . 2.7 tm? -82.22 94.63 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.526 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 52.4 m-85 -80.52 152.09 28.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.5 m -106.56 139.55 40.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 56.0 m-85 -143.63 -176.92 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.23 -46.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -164.26 150.53 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.552 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -78.13 141.69 38.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.2 mt -67.88 -39.5 83.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -152.65 167.78 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.526 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 1.4 p -142.23 119.69 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.0 mm-40 -134.71 132.12 20.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 130.13 13.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.767 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.436 HD22 ' CE1' ' A' ' 98' ' ' PHE . 14.8 mt -67.14 -20.99 65.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 tt -59.84 127.17 30.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.43 -42.42 1.92 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.4 ' C ' ' OG1' ' A' ' 57' ' ' THR . 39.8 m-85 -64.51 -177.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 2.7 m -153.86 170.3 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.462 HG23 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -147.36 158.5 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.452 ' CG2' HD13 ' A' ' 74' ' ' LEU . 5.9 t -163.51 141.77 7.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.446 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 61' ' ' VAL . 3.3 tm? -71.35 139.26 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -113.13 18.03 18.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.33 143.17 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -132.69 177.75 7.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -128.76 145.67 51.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.2 tp -93.47 92.96 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -78.77 153.27 30.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 14.7 t-80 -137.12 104.7 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 75.38 -55.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.76 35.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -156.78 146.17 20.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.737 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 80' ' ' PHE . 59.2 t -69.98 139.37 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.427 ' N ' HG13 ' A' ' 79' ' ' VAL . 41.8 t80 -115.56 -35.49 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.426 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 3.8 m-85 -167.79 157.39 10.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.75 160.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -152.47 124.67 8.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -93.71 158.84 15.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.7 150.16 51.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.77 -66.68 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.31 -178.63 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -59.61 -59.16 5.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -40.53 -53.69 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.634 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 m -51.27 -59.44 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.5 m -39.31 -58.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -47.12 -43.39 20.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -60.77 -54.26 47.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.534 ' CZ2' HD12 ' A' ' 14' ' ' LEU . 75.8 m95 -58.67 -52.85 63.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.5 mt -45.4 -66.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -47.22 70.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 -38.46 37.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.462 ' CB ' HG23 ' A' ' 58' ' ' VAL . 4.4 m-85 -78.92 -36.1 42.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -67.27 -55.49 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.414 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 1.5 mt-10 -60.03 -32.14 70.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.51 -57.95 14.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.5 p -54.72 -41.72 70.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 26.6 m . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.551 0.215 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.1 p -171.84 145.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.552 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 159.47 153.33 6.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 56.1 m-85 -61.3 128.14 34.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.48 HD12 ' CZ2' ' A' ' 94' ' ' TRP . 7.9 mt -130.38 153.83 48.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -96.59 110.1 22.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -90.81 135.3 33.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -142.79 157.24 44.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.83 18.35 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.99 -165.72 23.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 m -79.4 170.97 15.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.039 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm 52.06 24.11 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -120.58 156.15 56.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.95 22.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.5 m95 -79.86 136.27 36.65 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -108.53 115.11 29.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.594 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 6.7 t-80 -79.44 106.6 11.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -137.62 167.21 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 55.2 t-105 -105.39 142.91 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -138.39 149.27 45.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.8 t -139.24 155.34 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -112.94 93.65 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 37' ' ' TYR . 15.8 ttpt -122.33 132.04 54.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.4 t30 54.22 38.6 29.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.21 25.14 10.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.5 t -116.59 130.98 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -89.0 93.53 9.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 46.3 m-85 -79.22 149.95 31.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.2 m -100.4 142.47 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 55.2 m-85 -146.9 177.43 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.34 -45.13 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.84 176.63 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -90.16 145.53 24.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.1 mt -74.71 -39.57 61.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -151.07 173.47 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.7 131.8 26.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -143.8 115.84 5.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.69 32.96 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mt -93.08 39.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.13 108.09 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.42 -26.65 14.63 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.562 1.164 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.488 ' CE2' ' CD2' ' A' ' 75' ' ' HIS . 44.7 m-85 -58.08 178.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.409 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 3.7 m -154.86 169.85 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.445 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -141.93 159.67 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 1.3 t -171.45 159.91 5.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -77.86 143.1 38.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.447 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 5.8 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 10.2 mttt -103.81 4.83 35.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.0 p -127.48 140.54 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -129.64 177.55 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -131.31 143.96 50.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.3 tp -93.87 99.0 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -82.81 147.16 28.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.488 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 15.8 t-80 -137.13 97.62 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.625 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 1.4 mtmp? 83.58 -2.95 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.471 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 128.55 -23.08 5.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.29 148.22 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.6 t -73.8 127.67 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.436 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 35.5 t80 -98.02 -38.28 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 6.1 m-85 -164.21 158.85 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.0 t -100.53 159.93 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 50.5 m-85 -152.62 128.21 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -113.03 131.83 55.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.95 154.88 18.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -74.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -99.12 -179.26 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -78.62 -53.45 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -37.82 6.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -64.29 -54.07 39.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.6 m -41.33 -51.6 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 92' ' ' GLN . 19.4 mm100 -54.43 -46.01 73.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 6.5 mtm180 -56.5 -43.66 79.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.48 ' CZ2' HD12 ' A' ' 14' ' ' LEU . 27.9 m95 -70.04 -49.62 49.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.011 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 mt -50.76 -68.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -50.62 -41.63 55.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -56.03 -42.68 76.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.445 ' CB ' HG21 ' A' ' 58' ' ' VAL . 16.8 m-85 -77.82 -39.45 43.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -62.39 -48.07 81.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.45 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 2.6 mt-10 -69.08 -9.56 53.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.29 -41.71 7.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.1 p -74.27 -33.0 63.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 0.809 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 26.2 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.477 ' HB3' ' CZ3' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.488 0.185 . . . . 0.0 111.001 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 p -172.46 125.4 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.59 149.98 7.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -59.47 127.99 34.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.57 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 2.4 mt -138.25 139.99 39.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 23.8 m-85 -83.12 114.83 21.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -102.16 144.37 30.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 t -141.12 171.39 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.041 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 16.02 26.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.82 -159.49 23.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 m -85.83 151.12 24.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 80.25 -3.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -96.88 156.13 36.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 152.18 40.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -91.31 141.76 28.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 108.029 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -139.33 108.49 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -72.46 143.59 48.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.659 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -150.02 168.12 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -96.6 126.18 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -126.26 145.29 50.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -141.88 121.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.7 mt -89.11 89.91 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.82 96.72 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.11 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -143.81 17.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.542 HG13 ' CE1' ' A' ' 37' ' ' TYR . 86.9 t -116.15 134.09 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -99.91 96.51 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 43.4 m-85 -86.55 140.96 29.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 39' ' ' TYR . 60.3 m -95.02 150.33 20.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 38.7 m-85 -147.86 -170.49 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.97 -43.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -167.52 145.04 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -71.17 141.41 50.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.48 -39.13 74.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -153.91 169.32 23.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -142.36 127.46 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -144.71 124.65 7.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.499 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.03 148.63 35.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mt -92.98 30.25 1.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -87.67 113.83 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.404 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 95.67 -34.5 4.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 52' ' ' PRO . 51.5 m-85 -52.59 179.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -154.06 171.56 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.472 HG23 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -144.62 150.63 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.465 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.4 t -157.96 156.05 30.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 61' ' ' VAL . 1.1 tm? -87.22 143.49 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.427 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -124.31 25.48 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -149.82 140.14 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.1 p90 -135.22 177.97 7.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -133.57 146.24 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.2 tp -93.75 98.96 11.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER -81.36 147.59 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.55 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 16.0 t-80 -137.52 109.09 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 6.4 mtpt 67.83 9.27 7.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.53 -18.31 20.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.83 133.99 42.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 80' ' ' PHE . 53.6 t -58.19 138.21 19.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.56 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 19.2 t80 -108.8 -39.39 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-85 -170.62 166.98 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 t -103.05 161.49 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 75.5 m-85 -153.89 126.14 7.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 140.47 39.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.42 156.79 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.38 -60.03 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.45 -176.96 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' HIS . . . -69.45 -60.53 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -39.56 -40.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' THR . 3.7 m -61.3 -55.38 32.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.472 ' CG2' HD13 ' A' ' 95' ' ' ILE . 16.5 m -37.64 -54.04 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.33 -47.89 82.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 10.0 mtm180 -52.49 -49.04 65.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.57 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.7 m95 -65.54 -50.51 64.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.033 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 91' ' ' THR . 26.1 mt -50.94 -66.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.81 -38.7 61.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -62.09 -31.0 71.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CB ' HG23 ' A' ' 58' ' ' VAL . 6.3 m-85 -85.28 -33.16 22.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -69.0 -55.54 10.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.438 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -44.38 -39.71 4.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.1 -65.89 3.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.3 p -50.31 -44.23 54.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 17.5 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.496 0.189 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.2 p -161.08 160.87 30.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.543 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 141.47 167.13 11.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.16 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.635 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 23.6 m-85 -75.46 130.81 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.518 HD13 ' CZ2' ' A' ' 94' ' ' TRP . 26.1 mt -132.29 151.56 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -97.89 114.98 27.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -99.88 112.53 24.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 2.1 t -107.23 167.46 9.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 30.56 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.14 -137.85 5.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.405 ' HB2' ' CE ' ' A' ' 21' ' ' LYS . 14.7 m -105.66 -71.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER -76.8 2.92 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -69.93 156.06 92.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 126.05 9.75 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 76.3 m95 -70.23 166.23 20.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -136.1 107.64 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.635 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 6.7 t-80 -66.12 110.39 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.642 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -137.09 167.98 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 73.3 t-105 -107.65 139.68 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.029 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.5 154.43 50.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -149.94 141.16 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.4 mt -104.37 97.75 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -123.35 136.29 54.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t30 55.4 33.8 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.16 21.52 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.4 t -115.18 131.1 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 3.0 tm? -87.99 91.8 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.495 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 52.9 m-85 -79.26 146.08 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 m -100.86 155.73 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 73.7 m-85 -157.43 -176.58 6.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.7 -45.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.98 154.2 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.533 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -78.54 137.81 38.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.35 -40.26 89.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -149.52 166.89 27.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.495 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -141.44 121.13 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -134.99 125.55 17.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.79 7.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.61 -25.25 37.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 54' ' ' LEU . 1.1 tm? -56.74 115.29 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.36 -34.81 5.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.674 ' CE2' ' CD2' ' A' ' 75' ' ' HIS . 48.4 m-85 -77.09 -179.68 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.0 m -151.45 175.7 12.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.443 HG22 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -147.04 157.13 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.453 ' CG2' HD11 ' A' ' 74' ' ' LEU . 3.4 t -161.79 152.5 17.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 95' ' ' ILE . 1.6 tm? -77.43 143.12 38.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.403 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 1.8 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.227 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -123.63 25.21 8.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.413 ' N ' HG21 ' A' ' 91' ' ' THR . 4.1 p -152.53 148.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 8.6 p90 -138.55 173.18 11.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.12 145.95 49.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.9 tp -95.38 97.73 10.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -79.98 146.31 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.674 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 53.3 t-80 -137.19 94.94 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 82.2 13.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 110.96 -25.5 14.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.7 mtm -88.41 144.22 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.4 t -75.23 133.9 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -98.92 -47.54 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -159.11 173.98 15.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 t -115.11 121.48 67.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.56 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 76.8 m-85 -113.57 122.91 48.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -103.2 141.04 36.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.26 150.5 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.0 -71.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -116.62 -175.71 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -53.86 51.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -45.13 -58.09 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 m -45.52 -55.92 5.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.413 HG21 ' N ' ' A' ' 70' ' ' VAL . 28.6 m -44.56 -62.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -44.34 -57.83 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.72 -64.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.518 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 59.2 m95 -48.08 -52.96 18.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 60' ' ' LEU . 56.1 mt -46.32 -59.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -57.38 -46.55 83.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.39 -34.73 64.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.443 ' CB ' HG22 ' A' ' 58' ' ' VAL . 2.8 m-85 -81.1 -28.29 35.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -78.54 -54.92 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.439 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 47.7 mt-10 -58.93 -35.29 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.18 -48.07 74.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.8 p -63.82 -40.42 96.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 19.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.526 0.203 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 p -145.04 154.81 42.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.482 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 152.1 136.95 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.413 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 56.2 m-85 -51.23 134.29 27.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.8 mt -136.19 156.17 49.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.529 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 26.5 m-85 -98.83 114.55 27.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -92.34 138.19 31.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -144.51 160.17 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -114.26 41.63 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.33 -174.73 21.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -75.21 -56.5 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 0.797 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -79.87 50.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -130.67 155.85 80.66 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.77 41.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 96.6 m95 -93.41 131.61 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.93 114.02 27.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 3.1 t-160 -79.46 106.96 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt -137.79 169.47 17.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.482 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 56.3 t-105 -104.94 142.81 34.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 108.024 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.83 153.46 49.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -142.48 167.89 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -130.2 89.3 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 3.9 ttmt -113.05 129.23 56.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 62.89 24.77 14.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.85 6.34 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.5 t -98.35 131.77 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 2.7 tm? -85.17 94.42 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 57.6 m-85 -81.3 142.53 33.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.9 m -97.53 149.15 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 68.6 m-85 -151.26 177.21 10.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.12 -44.55 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -161.44 176.29 11.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.05 139.76 30.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -69.67 -41.97 74.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -147.54 169.27 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.16 135.39 30.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 45.9 tp60 -152.99 123.31 3.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.5 Cg_endo -74.95 144.75 30.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.0 mt -91.36 40.82 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 tt -96.67 124.1 40.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.44 -11.62 58.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 75' ' ' HIS . 27.8 m-85 -79.44 -179.95 7.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 m -152.89 170.55 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.09 151.55 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.457 ' CG2' HD11 ' A' ' 74' ' ' LEU . 4.0 t -161.31 148.72 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' A' ' 61' ' ' VAL . 1.7 tm? -73.42 143.09 46.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.46 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -106.59 -0.24 23.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.5 146.11 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.4 p90 -134.94 177.75 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -131.43 142.54 50.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 tp -93.96 96.19 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -79.87 147.56 31.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 11.8 t-80 -136.94 96.45 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 2.8 mtmp? 81.01 2.91 1.64 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 123.89 -26.0 6.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mtp -88.25 146.16 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.71 128.57 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -95.74 -40.78 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -161.96 167.69 24.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.2 t -117.85 116.68 52.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 59.6 m-85 -108.08 123.68 49.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.94 133.87 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.64 148.04 30.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.67 -65.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -88.8 168.18 12.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.24 -55.17 5.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -40.21 -54.86 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -46.76 -53.18 12.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.1 m -44.15 -60.0 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -53.39 -45.75 69.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 9.9 mtm180 -55.5 -49.99 71.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -64.21 -49.12 73.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 107.986 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.7 mt -53.24 -66.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -37.74 56.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -64.49 -37.39 87.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -81.47 -22.38 38.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -82.47 -39.07 23.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.463 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.9 OUTLIER -78.48 -12.95 60.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.1 -60.72 4.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.4 p -50.86 -36.86 39.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 110.43 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 20.9 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.512 0.196 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p -168.58 142.91 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.94 161.36 10.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -75.29 129.6 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 94' ' ' TRP . 5.0 mt -134.94 144.9 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 15.4 m-85 -82.96 116.55 22.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.21 124.31 47.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.476 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 42.5 t -119.66 178.94 4.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.85 26.85 9.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.23 -145.03 13.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -95.2 -67.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mtmm -75.64 53.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -130.7 156.03 80.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.8 20.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 98.7 m95 -83.37 145.26 29.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -138.02 107.27 6.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -73.45 98.9 2.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.65 169.02 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -101.01 137.05 39.89 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -137.92 145.73 42.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.2 t -137.67 123.52 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -88.81 92.59 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -117.12 136.57 52.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 54.12 30.66 12.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.83 22.6 11.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -115.91 127.33 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -82.13 96.84 7.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -85.66 133.07 34.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 39' ' ' TYR . 54.0 m -88.94 149.85 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 47' ' ' ALA . 49.1 m-85 -149.51 -172.48 4.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.25 -45.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -164.03 175.68 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.47 146.15 26.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.0 mt -71.93 -38.02 69.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -152.09 168.4 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.83 136.5 35.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.045 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.59 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 1.5 mm-40 -155.6 128.42 4.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.44 11.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' CE1' ' A' ' 98' ' ' PHE . 38.4 mt -67.49 -12.77 61.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -65.67 130.33 42.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 -26.69 16.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.59 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 25.4 m-85 -82.83 -177.33 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.4 m -154.05 176.59 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.19 155.95 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.459 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -162.32 156.95 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' CD1' ' N ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -83.32 144.33 29.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.407 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -130.36 6.78 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.73 142.04 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.5 p90 -135.81 169.01 18.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -122.88 150.35 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.1 tp -97.83 96.25 8.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER -78.82 148.35 32.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 25.3 t-80 -137.13 95.0 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 2.7 mtmp? 82.98 -5.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.418 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 132.89 -22.55 4.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.3 mtt -94.64 141.56 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 0.796 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 80' ' ' PHE . 25.2 t -69.25 137.74 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.404 ' N ' HG12 ' A' ' 79' ' ' VAL . 20.9 t80 -106.98 -43.15 4.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -162.95 156.15 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 t -100.01 155.74 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.516 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 91.4 m-85 -148.14 132.29 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -111.1 145.26 38.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.432 ' CB ' ' OG1' ' A' ' 91' ' ' THR . . . -114.69 154.95 27.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -67.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -119.91 -169.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.66 -44.62 63.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -51.9 -54.47 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.577 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.1 m -51.83 -57.78 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.443 ' CG2' HD11 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -40.39 -58.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -48.8 -51.35 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -52.06 -54.05 34.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.515 ' CD2' HD12 ' A' ' 14' ' ' LEU . 70.5 m95 -59.86 -51.16 70.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.029 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.443 HD11 ' CG2' ' A' ' 91' ' ' THR . 17.1 mt -47.43 -68.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.9 -44.25 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.81 -30.89 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.461 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 1.9 m-85 -86.92 -27.33 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -77.73 -53.17 7.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.441 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.3 OUTLIER -56.74 -32.05 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.54 -50.92 45.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.3 p -60.49 -39.77 88.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 26.4 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.489 0.185 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.1 p -149.51 170.45 18.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.46 143.32 5.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -48.27 140.35 7.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.91 171.65 12.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.612 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 23.4 m-85 -125.78 105.17 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -92.38 136.83 32.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 t -138.64 178.75 6.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.65 26.05 9.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.98 -167.26 29.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -86.27 -47.33 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.746 . . . . 0.0 110.008 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -85.86 40.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -127.81 155.71 76.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.75 30.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -86.67 137.47 32.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -107.94 102.83 11.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.612 ' CD2' ' CD1' ' A' ' 15' ' ' TYR . 38.9 m170 -63.21 102.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -130.42 170.57 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -109.87 140.59 43.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 108.018 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -141.05 143.69 34.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -134.55 140.95 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.7 mt -103.24 89.43 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -77.73 100.74 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.24 -79.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' LYS . 29.3 mttt -143.37 17.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.405 HG13 ' CE1' ' A' ' 37' ' ' TYR . 92.5 t -115.26 122.49 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 2.6 tm? -90.74 95.29 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 43.2 m-85 -82.81 159.23 22.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 39' ' ' TYR . 6.2 m -106.7 157.94 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 59.1 m-85 -157.45 -179.03 7.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.78 -44.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.36 164.74 17.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -75.53 148.51 38.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.4 mt -76.61 -38.5 54.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -152.7 170.51 20.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -139.07 130.4 26.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.414 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 53.6 tp60 -150.04 123.53 4.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.3 Cg_endo -75.04 156.39 42.79 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.472 1.775 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.565 HD22 ' CE1' ' A' ' 98' ' ' PHE . 3.6 mt -97.15 30.62 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 tt -88.56 123.56 33.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.22 -27.95 7.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -66.56 -177.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' LEU . 5.1 m -154.51 171.3 19.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 98' ' ' PHE . 1.1 t -147.09 153.48 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 74' ' ' LEU . 2.1 t -159.91 148.28 17.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -88.73 137.62 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.457 ' N ' ' CD2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' O ' ' CG2' ' A' ' 91' ' ' THR . 3.7 tttt 175.17 -35.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 p -100.26 143.23 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -131.81 177.77 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -129.86 146.61 51.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.3 tp -93.86 99.25 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER -82.32 147.89 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.453 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 9.8 t-80 -137.2 108.05 6.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.453 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 3.6 mtpt 68.03 9.77 7.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.87 -24.37 10.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.97 134.87 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.16 135.5 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.403 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 47.2 t80 -108.51 -37.23 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 4.1 m-85 -166.86 172.93 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.8 t -114.66 156.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 50.0 m-85 -147.97 134.54 19.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -123.79 142.99 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.26 149.15 34.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.29 -61.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.16 178.25 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.47 12.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -49.04 -30.26 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.565 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.7 m -73.05 -41.21 64.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 95' ' ' ILE . 25.2 m -45.2 -65.92 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -38.74 -53.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -50.68 -64.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -49.48 -52.08 31.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 107.998 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 91' ' ' THR . 81.7 mt -49.22 -62.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -53.36 -45.15 69.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.34 80.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CE1' HD22 ' A' ' 53' ' ' LEU . 5.9 m-85 -73.67 -14.36 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -89.81 -62.16 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.432 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -44.95 -33.95 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.72 -70.67 0.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 61.3 p -43.95 -41.19 5.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 27.0 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.467 0.175 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.3 p -168.31 149.26 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.569 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 150.07 137.45 2.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.649 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 36.0 m-85 -41.41 134.9 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 85' ' ' ALA . 43.3 mt -131.12 172.3 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -116.85 101.29 8.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 9.9 ttt180 -91.87 125.37 36.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.559 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 28.8 t -132.65 166.39 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -108.07 28.18 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.18 -171.52 30.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -83.74 -45.52 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -88.28 17.38 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -101.6 155.85 35.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.12 15.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 90.7 m95 -73.2 158.12 35.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -129.81 108.1 9.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.649 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 15.6 t-80 -71.89 109.77 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -140.93 170.37 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.569 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 40.4 t-105 -110.56 140.31 44.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 107.979 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -139.71 150.49 44.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.1 t -135.3 159.77 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 57.8 mt -120.54 95.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -126.09 134.47 51.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 59.92 24.89 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.23 21.21 7.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.4 t -110.75 137.26 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 3.2 tm? -91.48 91.01 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -79.8 153.83 28.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.0 m -105.61 152.83 22.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.511 ' CZ ' ' HB1' ' A' ' 47' ' ' ALA . 69.9 m-85 -155.4 178.67 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.46 -45.87 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.74 178.18 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' A' ' 39' ' ' TYR . . . -83.45 142.71 30.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.6 mt -71.75 -38.67 70.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -151.76 170.37 19.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.77 140.53 45.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -155.89 114.63 2.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.437 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 148.71 35.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 mt -91.21 39.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.448 ' O ' ' CD1' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -87.95 104.32 16.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.01 -28.13 17.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE1' ' O ' ' A' ' 52' ' ' PRO . 49.3 m-85 -56.22 175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LEU . 4.0 m -154.81 169.2 24.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -140.81 154.28 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.474 ' CG2' HD11 ' A' ' 74' ' ' LEU . 4.8 t -161.5 124.78 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.08 141.78 57.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.7 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.91 7.42 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.08 134.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 4.0 p90 -125.36 175.31 7.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -126.92 152.42 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 98' ' ' PHE . 32.4 tp -103.83 96.76 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -78.9 147.15 33.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -137.07 99.7 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 78.05 4.43 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 122.0 -27.44 6.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.7 142.56 27.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.2 t -70.34 134.04 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -99.21 -42.31 7.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 11.7 m-85 -165.98 160.3 16.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.2 t -105.55 114.06 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 48.0 m-85 -105.19 132.39 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -127.83 123.51 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.433 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -84.6 149.52 25.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -40.55 -67.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.61 179.73 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.72 -42.3 15.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.425 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 40.8 m170 -53.44 -31.54 45.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -72.82 -42.49 63.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.4 m -44.5 -61.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -39.83 -60.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -48.64 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 59.4 m95 -48.1 -55.44 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 107.981 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 56.0 mt -43.78 -64.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -54.08 -43.55 70.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.37 -35.65 19.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.464 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 16.6 m-85 -85.11 -42.22 14.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -62.13 -50.3 72.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -70.18 -10.55 59.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.32 -57.08 3.04 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.6 p -60.1 -38.91 84.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 20.1 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.523 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.518 0.199 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -178.8 168.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.956 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.56 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 134.59 148.4 5.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -60.39 132.88 55.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 94' ' ' TRP . 32.9 mt -131.71 177.25 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.788 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 21.1 m-85 -123.96 107.18 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 15.2 ttt180 -91.19 107.46 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -107.93 177.97 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.9 5.15 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.74 -150.28 10.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.02 -56.23 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 110.031 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -80.43 5.56 14.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -82.43 156.26 68.65 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 137.4 21.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 97.8 m95 -78.99 151.45 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -122.8 103.22 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.788 ' CD2' ' CD1' ' A' ' 15' ' ' TYR . 36.8 m170 -67.66 102.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mt -132.98 169.95 16.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 65.4 t-105 -110.22 145.51 37.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CZ ' ' HD2' ' A' ' 16' ' ' ARG . 75.0 m-85 -141.52 158.33 43.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.82 148.61 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -117.21 90.45 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.88 -39.19 38.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -171.38 -53.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 5.1 mttt -148.99 21.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.0 t -126.25 119.52 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -82.43 93.8 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -84.99 137.35 33.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 39' ' ' TYR . 1.9 m -91.76 158.66 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 47' ' ' ALA . 56.4 m-85 -156.95 -174.21 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.22 -46.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.077 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.31 164.68 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . . . -76.62 144.55 39.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.01 -45.37 61.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -143.37 168.83 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.22 123.29 15.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.411 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 60.5 tp60 -144.58 117.38 5.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.1 Cg_endo -74.99 156.77 43.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.21 30.31 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 105.19 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.71 -26.42 20.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.469 ' CZ ' ' CD2' ' A' ' 75' ' ' HIS . 39.7 m-85 -58.36 -179.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' LEU . 5.4 m -155.44 170.46 21.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -142.4 155.15 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.454 ' CG2' HD12 ' A' ' 74' ' ' LEU . 1.3 t -164.79 155.13 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 68' ' ' SER . 0.5 OUTLIER -82.23 146.12 29.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.421 ' N ' HD11 ' A' ' 60' ' ' LEU . 2.8 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.469 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.36 -35.65 5.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -113.15 140.34 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CE2' ' CB ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -133.9 178.36 7.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -131.45 152.39 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -103.91 96.98 7.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -78.25 147.9 34.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.469 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 13.0 t-80 -137.16 95.23 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.591 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 81.13 2.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.456 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 124.56 -25.8 5.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.8 mtt -92.31 138.56 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.05 138.08 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -104.42 -41.4 5.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.408 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 4.5 m-85 -160.36 172.56 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.3 t -119.19 121.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.591 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 54.7 m-85 -110.5 122.33 47.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -113.53 135.98 53.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.42 153.76 23.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.61 -44.61 90.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.47 171.88 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.15 -52.11 4.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -48.35 -39.83 23.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.8 m -61.66 -38.63 88.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.549 HG21 ' CD1' ' A' ' 71' ' ' PHE . 21.0 m -52.1 -57.48 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' THR . 17.1 mm-40 -38.66 -52.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -62.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.523 ' CD2' ' SD ' ' A' ' 10' ' ' MET . 56.9 m95 -43.46 -51.15 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.449 ' CD1' HD21 ' A' ' 60' ' ' LEU . 43.8 mt -50.22 -70.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.89 -41.61 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.74 78.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.63 -44.91 55.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -61.5 -56.62 18.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.459 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 17.9 mt-10 -52.05 -32.27 33.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' A' ' 34' ' ' LYS . . . -65.0 -63.62 4.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 55.1 p -51.32 -40.25 58.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 20.7 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.486 0.184 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -147.0 -74.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.494 ' O ' ' CE3' ' A' ' 28' ' ' TRP . . . 34.28 -147.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD2' ' CE3' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -124.18 150.29 45.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.417 HD12 ' CD2' ' A' ' 94' ' ' TRP . 94.6 mt -145.14 171.91 13.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.752 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 23.9 m-85 -122.75 116.16 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.21 135.17 33.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.5 158.66 43.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.82 14.15 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.99 -168.19 26.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.38 169.23 17.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.82 21.06 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -110.87 156.08 41.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -78.89 133.74 36.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 108.005 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.61 103.87 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.752 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 35.7 m170 -62.65 100.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -126.75 161.96 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.494 ' CE3' ' O ' ' A' ' 12' ' ' GLY . 60.0 t-105 -102.32 141.66 34.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.89 147.51 46.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG22 ' CD2' ' A' ' 39' ' ' TYR . 40.2 t -137.44 154.38 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.0 mt -120.49 104.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 7.7 ttpp -135.4 144.35 46.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.2 t30 51.93 28.59 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 tptt 63.65 36.06 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.6 t -128.9 135.49 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 2.7 tm? -88.28 93.06 9.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 42.7 m-85 -79.31 145.49 33.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 35.4 m -99.51 152.29 20.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.437 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 71.5 m-85 -157.04 178.66 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.45 -42.6 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -159.14 147.21 17.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.537 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -70.68 142.66 51.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.66 -38.96 84.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -149.45 165.61 31.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.96 132.94 31.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -148.46 127.99 6.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 128.34 11.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 14.2 mt -67.32 -32.98 74.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.53 102.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.42 30.71 2.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 75' ' ' HIS . 26.6 m-85 -139.74 -171.91 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' LEU . 6.9 m -155.98 171.66 19.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -146.48 159.62 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 74' ' ' LEU . 1.4 t -168.21 162.22 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -85.12 140.77 30.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.432 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -112.2 11.37 20.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -156.61 154.44 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.3 p90 -146.21 177.03 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -127.01 154.86 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.3 tp -103.54 96.04 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.469 HD12 ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER -78.98 147.62 32.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 28.7 t-80 -136.21 95.65 3.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 75' ' ' HIS . 4.6 mtpt 80.77 2.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 124.14 -23.9 6.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.77 141.34 28.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 80' ' ' PHE . 55.0 t -68.81 138.47 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.425 ' N ' HG11 ' A' ' 79' ' ' VAL . 33.7 t80 -108.29 -38.22 5.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.462 ' CE2' ' NH1' ' A' ' 16' ' ' ARG . 3.7 m-85 -166.34 167.33 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -113.21 111.48 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 29.0 m-85 -104.46 124.84 49.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -112.6 134.77 53.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.69 150.15 21.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.26 -63.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.82 -178.28 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.42 -48.63 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -48.91 -38.37 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 m -62.51 -48.18 80.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -39.25 -65.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -44.14 -53.36 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -50.57 -60.72 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 10' ' ' MET . 69.1 m95 -50.26 -54.31 22.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.9 mt -45.43 -64.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -53.61 -44.5 69.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.57 -48.24 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -70.2 -41.01 74.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -58.5 -58.37 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.406 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 11.5 mt-10 -59.32 -34.28 72.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.15 -59.67 9.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 61.0 p -53.16 -42.56 66.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.423 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 26.0 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.485 ' HE2' ' CE2' ' A' ' 94' ' ' TRP . 5.8 tpt . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.504 0.192 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 p -158.98 143.81 15.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.056 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.41 155.94 7.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -68.81 134.36 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.801 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 HD11 ' CH2' ' A' ' 94' ' ' TRP . 21.8 mt -134.39 168.29 19.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.726 ' CE1' ' CG ' ' A' ' 26' ' ' HIS . 26.5 m-85 -112.76 116.42 30.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -97.39 128.38 44.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -124.93 173.53 8.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.42 29.6 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.25 -154.51 25.56 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.77 -53.24 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -80.65 3.26 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -82.45 156.08 68.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 150.29 37.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.9 m95 -87.32 152.85 21.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 110.2 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.726 ' CG ' ' CE1' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -66.25 118.34 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.594 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -143.14 163.86 31.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -110.53 139.99 45.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 107.989 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -139.79 157.54 45.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -144.86 152.76 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -109.77 101.5 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -130.86 132.42 45.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.4 t30 58.51 24.43 11.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 68.58 33.89 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -126.41 132.34 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 3.1 tm? -87.05 91.12 8.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -79.65 146.54 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 7.4 m -95.87 160.39 14.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.34 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.483 ' CG ' ' O ' ' A' ' 38' ' ' THR . 84.6 m-85 -162.61 171.31 17.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.17 -39.52 3.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -170.4 167.28 8.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -71.2 145.25 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.8 mt -77.23 -36.92 54.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -151.08 177.67 9.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.253 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.54 140.63 33.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -155.14 113.56 2.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 145.66 31.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mt -94.98 32.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.29 110.35 16.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.67 -29.63 8.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 31.9 m-85 -52.5 179.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -152.7 170.58 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -142.76 150.42 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.452 ' CG2' HD13 ' A' ' 74' ' ' LEU . 4.1 t -157.55 149.79 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CD1' ' N ' ' A' ' 61' ' ' VAL . 1.3 tm? -79.5 143.55 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.443 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -123.67 21.94 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.91 136.83 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.3 p90 -131.62 177.2 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -133.27 145.43 50.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.8 tp -93.61 97.75 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER -80.58 145.86 31.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER -137.13 119.19 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.63 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 0.4 OUTLIER 59.79 13.2 3.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 110.92 -29.1 9.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.483 ' HG2' ' CG ' ' A' ' 76' ' ' LYS . 5.7 ptp -89.18 140.59 29.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 80' ' ' PHE . 56.0 t -62.0 141.39 17.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' N ' HG11 ' A' ' 79' ' ' VAL . 15.1 t80 -108.84 -38.77 5.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -165.82 -179.47 5.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 t -125.65 116.13 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.461 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 55.3 m-85 -108.95 138.97 44.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.11 149.27 39.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' CB ' ' OG1' ' A' ' 91' ' ' THR . . . -111.18 157.84 19.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.84 -64.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -115.01 -179.82 3.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.61 84.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -51.84 -58.93 5.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.555 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.1 m -40.3 -57.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.449 ' CG2' HD12 ' A' ' 95' ' ' ILE . 1.2 m -45.06 -60.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -49.09 -52.88 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -55.5 -50.48 69.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.485 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 72.8 m95 -57.84 -47.82 81.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 107.964 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.449 HD12 ' CG2' ' A' ' 91' ' ' THR . 61.3 mt -52.45 -71.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -50.75 -36.0 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -62.73 -36.61 83.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.443 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 9.8 m-85 -84.44 -34.16 23.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -67.81 -41.17 83.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 3.0 mt-10 -67.52 -27.37 66.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.25 -52.15 38.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.8 p -61.83 -44.36 97.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 16.3 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.461 0.172 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.9 p -157.02 113.94 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -171.27 160.55 32.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -76.96 134.62 38.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.526 HD13 ' CH2' ' A' ' 94' ' ' TRP . 8.5 mt -136.95 161.11 36.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.807 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 24.0 m-85 -108.83 123.13 48.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.52 139.3 32.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -141.62 161.87 36.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 39.52 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.99 -179.09 18.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' LYS . 2.0 m -65.8 -77.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -70.12 57.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' SER . 4.2 mmtt -130.03 156.03 79.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 136.79 21.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.7 m95 -81.27 153.97 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -131.57 109.01 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.807 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 36.5 m170 -63.08 110.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -134.36 164.25 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 43.1 t-105 -119.75 127.7 53.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' CD1' HD11 ' A' ' 36' ' ' LEU . 88.2 m-85 -122.91 159.97 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 t -151.11 133.7 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.3 mt -95.82 93.94 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -86.69 -98.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.514 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 14.0 t-20 -93.09 63.93 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 56.37 21.8 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.1 t -115.0 130.56 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 29' ' ' PHE . 3.3 tm? -85.76 93.6 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 23.6 m-85 -81.67 150.05 28.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 m -111.18 156.57 21.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 70.7 m-85 -152.71 178.4 9.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.433 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -116.84 -9.59 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -152.91 -174.97 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -86.22 141.89 28.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 40' ' ' ALA . 96.8 mt -68.23 -41.3 81.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -141.27 163.33 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.501 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -142.23 130.26 21.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.413 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 51.5 tp60 -147.39 124.29 5.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.413 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.3 Cg_endo -75.01 121.94 6.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.09 -25.06 63.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.23 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.53 35.05 1.34 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 75' ' ' HIS . 26.4 m-85 -139.84 -173.53 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.5 m -154.1 170.83 20.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -147.12 152.42 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.472 ' CG2' HD12 ' A' ' 74' ' ' LEU . 1.3 t -155.5 148.62 24.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 61' ' ' VAL . 3.1 tm? -78.64 139.57 38.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.44 ' N ' HD13 ' A' ' 60' ' ' LEU . 3.8 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 2.8 mttt -112.61 23.59 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 p -154.07 156.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -148.77 175.33 11.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 110.96 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -130.09 147.54 51.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.2 tp -97.65 100.03 11.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -83.61 150.78 25.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 76' ' ' LYS . 8.0 t-80 -137.24 94.86 2.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 83.69 -2.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 130.2 -26.21 4.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.7 mtm -90.5 148.0 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.5 t -74.85 128.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 42.3 t80 -99.43 -38.94 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.417 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 5.5 m-85 -166.9 157.75 12.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 83' ' ' PHE . 44.6 t -98.33 157.53 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 54.3 m-85 -152.49 127.96 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -111.18 147.33 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -116.72 155.34 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -45.92 -66.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.16 174.45 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -62.61 -46.05 90.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.411 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 1.2 m-70 -50.26 -47.73 55.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.91 -49.41 68.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.45 ' CG2' HD12 ' A' ' 95' ' ' ILE . 97.8 m -47.52 -61.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -39.2 -52.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.411 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -57.06 -55.46 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.526 ' CH2' HD13 ' A' ' 14' ' ' LEU . 75.9 m95 -54.53 -49.69 69.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.45 HD12 ' CG2' ' A' ' 91' ' ' THR . 97.3 mt -51.57 -69.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -50.35 -35.71 29.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.5 83.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' TRP . 15.8 m-85 -83.72 -30.63 26.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -69.24 -49.74 53.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.446 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -68.66 -28.75 67.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.22 -62.49 5.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 49.3 p -53.13 -45.48 68.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.773 . . . . 0.0 110.412 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 5.0 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.554 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.494 0.188 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -177.23 162.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.497 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 130.64 159.61 9.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -69.92 124.7 24.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 94' ' ' TRP . 3.8 mt -126.96 143.69 51.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -83.37 112.39 19.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -100.1 108.52 20.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -99.51 -177.42 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.041 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 3.2 mttt -129.04 20.49 5.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.82 -136.16 4.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.138 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.08 -65.91 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.756 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -1.09 23.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 18' ' ' LYS . 12.7 mmtt -69.95 156.63 91.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.442 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -75.01 142.4 27.76 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.787 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.596 ' CH2' HG11 ' A' ' 82' ' ' VAL . 81.7 m95 -87.57 142.37 27.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 23' ' ' PRO . 3.9 mtmt -123.82 101.64 7.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -71.28 98.74 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.73 170.64 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.497 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.1 t-105 -103.94 134.42 47.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 107.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -134.6 149.15 50.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -143.38 123.07 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.2 mt -84.91 98.07 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -120.13 133.34 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 60.63 19.8 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 mptt 77.79 14.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.1 t -108.93 132.63 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -82.99 93.33 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.507 ' CD2' ' HB3' ' A' ' 32' ' ' LYS . 54.3 m-85 -80.32 147.52 31.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 m -103.07 155.28 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.507 ' CZ ' ' HB1' ' A' ' 47' ' ' ALA . 67.3 m-85 -155.43 179.17 9.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.99 -40.78 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.55 149.34 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.507 ' HB1' ' CZ ' ' A' ' 39' ' ' TYR . . . -69.11 134.62 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.08 -41.15 97.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -148.73 166.87 27.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.18 124.94 15.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -143.65 127.14 9.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.494 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 157.47 42.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 mt -100.46 25.23 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 tt -84.91 123.23 30.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.74 -16.88 43.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.494 ' CE2' ' O ' ' A' ' 52' ' ' PRO . 53.0 m-85 -74.35 177.02 6.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -149.02 167.58 25.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.74 152.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.412 ' CG2' HD12 ' A' ' 74' ' ' LEU . 5.1 t -160.67 147.95 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 ' CD1' ' A' ' 95' ' ' ILE . 1.4 tm? -80.91 142.76 33.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.422 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 2.0 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -132.39 12.69 4.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.23 147.1 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 83' ' ' PHE . 2.4 p90 -138.07 177.87 7.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -129.78 145.74 51.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 48.1 tp -95.86 99.09 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -84.22 148.04 26.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 20.7 t-80 -137.23 95.12 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.572 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 87.94 -33.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.428 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 163.22 -27.26 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.31 141.94 28.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.78 129.17 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 19.2 t80 -93.07 -41.78 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 11.5 m-85 -166.43 157.95 13.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.596 HG11 ' CH2' ' A' ' 24' ' ' TRP . 88.5 t -99.91 132.58 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 69.2 m-85 -126.07 131.87 52.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -117.08 138.64 51.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.77 150.91 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -74.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -94.78 178.48 5.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' HIS . . . -72.36 -61.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.451 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 8.3 m170 -39.52 -43.29 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -56.55 19.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.45 HG23 ' CD1' ' A' ' 95' ' ' ILE . 1.3 m -42.43 -52.86 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.354 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -56.92 -58.15 9.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.451 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -46.44 -47.07 19.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.237 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.554 ' CD2' ' SD ' ' A' ' 10' ' ' MET . 74.9 m95 -60.67 -53.76 53.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 108.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.45 ' CD1' HG23 ' A' ' 91' ' ' THR . 8.8 mt -51.36 -58.3 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -55.01 -40.67 70.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.14 -34.19 77.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -81.49 -30.01 33.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -73.16 -39.76 65.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.49 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 1.2 pt-20 -78.02 -13.17 59.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.11 -44.82 43.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.442 1.088 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.7 p -65.7 -24.43 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.368 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 28.7 m . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.1 tpt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.497 0.189 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -169.56 136.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.547 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 165.74 150.46 6.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 63.8 m-85 -65.1 129.03 38.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.4 mt -129.6 150.79 50.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -97.78 119.0 35.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -91.27 136.85 32.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -156.53 132.57 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -36.6 82.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.52 -163.09 10.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -85.87 -37.93 18.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 0.0 110.015 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -85.82 39.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -129.87 155.51 80.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.74 8.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 97.9 m95 -66.86 135.87 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 121.11 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.534 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 51.3 t-80 -71.71 120.42 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.616 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.64 168.9 18.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.547 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 70.2 t-105 -120.59 137.61 54.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 107.985 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD1' HD12 ' A' ' 36' ' ' LEU . 97.5 m-85 -135.48 158.21 44.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -150.48 157.5 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -118.63 89.03 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 3.3 tttp -71.27 -84.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.438 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 36.2 t-20 -115.51 71.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttp 59.49 17.45 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.8 t -115.09 125.4 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' A' ' 29' ' ' PHE . 2.7 tm? -81.39 91.55 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 13.5 m-85 -79.91 132.29 36.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.4 m -90.18 160.64 16.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 65.0 m-85 -157.99 172.61 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -114.77 -11.06 12.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.82 -175.28 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.566 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -86.03 135.43 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 40' ' ' ALA . 81.3 mt -61.45 -47.69 84.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -135.07 158.92 43.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.556 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -140.06 132.8 29.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.405 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 39.3 tp60 -152.71 133.4 7.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.2 Cg_endo -75.06 129.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.27 -21.09 66.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -54.42 113.4 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.78 -34.07 5.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -75.24 -178.26 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.5 m -152.63 168.86 24.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG21 ' CG ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.25 152.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.474 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -161.26 129.85 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.14 141.72 58.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 91' ' ' THR . 9.9 tttt -121.69 -41.75 2.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -103.53 145.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -131.24 177.82 7.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -125.91 148.24 49.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.4 tp -99.67 98.22 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.474 HD11 ' CG2' ' A' ' 59' ' ' THR . 0.8 OUTLIER -82.72 146.68 28.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 29.6 t-80 -136.51 98.76 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 14.9 mtmt 82.25 -1.97 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.451 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 127.47 -23.66 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 25.3 mtt -95.49 142.31 27.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.75 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.09 128.75 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 62.0 t80 -101.67 -33.12 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.624 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 4.5 m-85 -167.3 169.62 12.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.46 144.93 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.429 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 61.1 m-85 -136.48 127.06 26.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 85' ' ' ALA . 3.8 tttt -109.82 141.49 42.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . -111.25 143.05 42.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.34 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -94.51 174.69 6.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.78 -47.07 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -46.92 -50.53 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.607 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -51.8 28.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.958 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 92' ' ' GLN . 24.2 m -40.76 -68.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 91' ' ' THR . 22.6 mm-40 -38.52 -58.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -53.18 36.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -55.02 -53.31 57.4 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.9 mt -46.91 -63.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.8 -42.03 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.15 -49.78 68.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.483 ' CG ' HG21 ' A' ' 58' ' ' VAL . 7.1 m-85 -68.78 -49.64 56.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -53.97 -56.78 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 3.5 mt-10 -56.26 -36.64 68.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.0 -55.93 25.31 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.4 p -57.43 -42.31 82.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 21.4 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.543 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.503 0.192 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.9 p -179.57 126.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.539 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 167.69 178.47 39.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -88.63 138.32 31.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.5 mt -136.64 151.47 49.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.742 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 30.0 m-85 -94.54 112.79 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.46 120.31 32.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.52 ' OG ' ' CE3' ' A' ' 24' ' ' TRP . 2.2 m -127.09 155.76 42.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -98.76 15.29 25.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.6 -152.37 23.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.155 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -96.22 -55.73 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -81.79 47.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -130.46 155.71 80.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.63 10.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CE3' ' OG ' ' A' ' 17' ' ' SER . 95.4 m95 -70.84 154.71 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.98 112.79 11.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.742 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 0.8 OUTLIER -75.47 113.64 13.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.633 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.52 166.89 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.539 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 70.0 t-105 -104.58 140.31 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 107.984 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -137.92 151.89 48.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.4 t -147.53 125.19 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -93.91 110.01 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.52 137.74 44.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 57.54 24.64 10.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.95 25.22 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.78 133.57 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' CB ' HD23 ' A' ' 53' ' ' LEU . 3.0 tm? -90.0 93.4 9.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -79.22 151.48 31.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.431 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 53.4 m -106.67 159.33 16.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 67.3 m-85 -160.97 169.24 22.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . . . -111.01 -28.57 8.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.1 176.39 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.469 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -82.69 145.82 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 96.0 mt -70.98 -33.01 70.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -151.75 167.39 28.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.95 123.78 15.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -145.99 126.52 7.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.5 41.87 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD23 ' CB ' ' A' ' 36' ' ' LEU . 12.2 mt -96.41 38.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.61 117.93 30.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.01 -11.66 70.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 75' ' ' HIS . 39.5 m-85 -81.63 178.1 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 110.973 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -153.94 169.14 24.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.435 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -144.83 151.19 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.419 ' CG2' HD13 ' A' ' 74' ' ' LEU . 5.8 t -162.24 140.36 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.57 141.02 48.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -164.29 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -107.07 129.85 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 3.1 p90 -119.44 178.02 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -125.35 145.6 49.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.6 tp -97.04 98.47 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.419 HD13 ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER -81.31 146.21 30.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . 18.3 t-80 -136.81 96.96 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER 81.29 6.67 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.51 -17.56 13.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.8 mtt -100.09 137.14 38.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.87 125.07 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 67.6 t80 -94.87 -37.69 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 3.9 m-85 -164.94 167.78 18.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.4 t -115.39 127.83 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.431 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 59.7 m-85 -120.06 130.52 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -115.25 132.58 56.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.27 157.86 15.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -58.8 -54.6 45.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.45 -172.29 2.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.37 -49.04 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -49.37 -32.97 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.9 m -69.45 -48.38 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' GLN . 96.4 m -40.32 -63.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' THR . 30.6 mm-40 -38.85 -48.23 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -58.24 -64.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.543 ' CD2' ' SD ' ' A' ' 10' ' ' MET . 69.1 m95 -47.76 -49.71 27.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 108.051 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.9 mt -49.44 -66.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.54 -40.9 63.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.3 -39.06 72.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.435 ' CB ' HG21 ' A' ' 58' ' ' VAL . 8.7 m-85 -81.09 -32.24 34.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -71.81 -57.62 4.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.461 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -56.08 -22.8 29.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.98 -53.39 10.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.5 p -61.7 -41.64 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 19.6 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 tpt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.52 0.2 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.4 p -160.35 170.02 21.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.571 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 138.08 176.75 14.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.85 140.31 29.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 94' ' ' TRP . 9.2 mt -140.48 168.95 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -118.57 123.54 45.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -101.19 145.93 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.72 166.62 32.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.051 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -31.44 13.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.81 162.05 26.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 4.6 m -47.92 164.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 0.737 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 20' ' ' SER . 15.4 mmtt 80.2 -44.54 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -69.7 156.42 91.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.25 22.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -71.43 137.99 48.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 107.998 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -93.04 147.5 22.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -104.1 114.8 29.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.613 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -154.09 173.07 16.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 3.6 t-105 -128.62 152.13 48.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 28' ' ' TRP . 57.5 m-85 -141.71 170.14 16.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 t -154.33 157.13 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.6 mt -118.14 89.04 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 8.6 ttpt -80.52 -90.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.438 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 41.5 t-20 -105.7 71.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 52.06 22.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.8 t -116.07 127.74 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -84.35 93.89 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 40.0 m-85 -86.62 134.78 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 m -85.15 155.63 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 65.8 m-85 -157.23 174.47 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.38 -38.21 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.72 157.39 26.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -76.48 144.03 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.0 mt -74.23 -39.55 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -149.61 169.59 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -140.73 121.56 14.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -141.07 122.86 9.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.37 42.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 98' ' ' PHE . 2.4 mt -98.09 34.37 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.74 110.3 18.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.17 -37.05 3.63 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' C ' ' OG1' ' A' ' 57' ' ' THR . 45.2 m-85 -50.94 178.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 0.745 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.7 m -154.89 169.32 24.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.418 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.54 153.02 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.474 ' CG2' HD12 ' A' ' 74' ' ' LEU . 3.0 t -158.52 130.52 6.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 70' ' ' VAL . 2.7 tm? -68.36 141.07 55.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 1.9 ttpm? -134.36 10.6 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 3.1 p -139.42 152.81 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 83' ' ' PHE . 1.1 p90 -140.74 169.55 17.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -123.23 147.51 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.1 tp -97.81 100.65 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 59' ' ' THR . 0.9 OUTLIER -83.46 149.38 26.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 30.7 t-80 -137.18 94.66 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 86.96 -19.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.444 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 147.16 -21.92 1.57 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.82 143.69 26.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.8 t -67.07 137.62 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -104.94 -42.79 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -161.29 160.56 29.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.1 t -104.0 113.79 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 38.0 m-85 -104.32 126.83 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 85' ' ' ALA . 2.3 ttmt -118.23 139.56 51.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . -104.38 157.01 17.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.5 -63.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -104.02 158.58 16.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.93 41.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -41.54 -51.77 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.8 m -48.89 -52.0 26.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 95' ' ' ILE . 23.8 m -39.03 -69.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -41.53 -58.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -44.53 -59.94 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.52 ' CD2' HD11 ' A' ' 14' ' ' LEU . 73.5 m95 -51.56 -58.03 7.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.453 ' CD1' HG22 ' A' ' 91' ' ' THR . 22.0 mt -41.47 -67.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.15 -42.75 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.44 72.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CB ' HG21 ' A' ' 58' ' ' VAL . 5.9 m-85 -75.94 -34.26 59.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -67.03 -58.5 4.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 17.8 mt-10 -52.81 -23.94 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.99 -51.24 7.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.8 p -62.65 -31.29 72.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.371 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 34.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 tpt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.538 0.209 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -171.11 165.76 7.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 138.16 147.89 5.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.519 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 21.2 m-85 -63.77 139.44 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.586 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 39.7 mt -141.4 -176.68 4.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -131.39 118.85 20.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 4.0 ttm180 -92.52 118.41 30.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.584 ' OG ' ' CE3' ' A' ' 24' ' ' TRP . 3.1 m -124.9 129.23 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.953 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -8.88 55.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.7 -148.39 5.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.22 -53.35 2.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 0.742 . . . . 0.0 109.946 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -72.57 -5.37 36.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -80.19 156.15 74.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.52 12.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.584 ' CE3' ' OG ' ' A' ' 17' ' ' SER . 96.3 m95 -69.13 157.97 35.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -133.25 120.03 20.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.519 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 16.3 t-80 -72.0 117.47 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.579 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -144.5 170.33 16.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.1 t-105 -118.36 141.01 48.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.62 158.42 44.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 31' ' ' ILE . 37.1 t -152.26 161.84 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.439 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 44.9 mt -124.87 91.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 1.5 ttpt -80.62 -89.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.497 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 15.9 t30 -102.18 78.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 mttt 42.73 31.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 33' ' ' ASN . 88.4 t -130.19 127.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.05 96.71 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 25.4 m-85 -85.28 127.19 34.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 39' ' ' TYR . 2.4 m -83.66 157.46 22.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.419 ' N ' HG22 ' A' ' 38' ' ' THR . 69.5 m-85 -154.37 -172.76 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.08 -44.93 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -156.67 -179.76 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.78 145.34 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.94 -41.42 71.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -146.21 165.71 28.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.453 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -141.68 134.19 28.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -155.12 132.86 6.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.09 42.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.2 mt -100.28 16.96 22.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tt -76.7 124.04 27.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.43 -30.68 5.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -63.73 176.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -150.13 171.07 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.23 153.47 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.465 ' CG2' HD13 ' A' ' 74' ' ' LEU . 1.3 t -160.87 140.51 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 68' ' ' SER . 1.5 tm? -72.84 140.49 47.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.46 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 7.3 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 6.4 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -112.29 -14.06 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.4 p -142.75 146.01 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CD1' HG23 ' A' ' 91' ' ' THR . 2.4 p90 -136.63 178.1 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.3 153.31 47.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.2 tp -102.46 101.73 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER -84.17 148.84 26.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 14.6 t-80 -137.22 96.28 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER 82.01 0.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.423 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 125.19 -22.33 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.4 mtp -95.45 143.08 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.44 125.56 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.507 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 35.6 t80 -97.48 -34.86 10.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 8.8 m-85 -170.71 156.67 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 17' ' ' SER . 21.2 t -100.79 154.98 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 58.4 m-85 -150.7 126.4 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -112.89 148.55 34.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.31 145.29 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.79 -61.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.71 169.08 9.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.06 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -48.51 -35.21 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.574 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.5 m -67.69 -48.12 67.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.52 HG23 ' CD1' ' A' ' 71' ' ' PHE . 98.9 m -47.09 -58.98 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -39.77 -44.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.17 -66.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.586 ' CE2' ' CD1' ' A' ' 14' ' ' LEU . 35.7 m95 -46.53 -45.69 18.76 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.462 ' CD1' HG22 ' A' ' 91' ' ' THR . 93.5 mt -52.01 -71.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -47.13 -44.13 21.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.54 -37.24 70.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 95' ' ' ILE . 11.7 m-85 -83.18 -30.16 28.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -73.49 -57.8 3.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.433 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -50.98 -34.87 30.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.1 -59.22 8.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.2 p -53.56 -42.4 67.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 20.1 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 tpt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.496 0.189 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -151.38 145.85 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.04 135.66 2.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.775 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 13.3 m-85 -49.81 138.86 14.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.525 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 69.6 mt -139.85 160.31 40.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -107.32 112.86 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -92.73 138.52 31.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.46 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 16.3 t -148.81 167.26 26.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.042 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -112.24 29.97 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.63 176.85 22.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -74.48 -47.74 31.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 0.803 . . . . 0.0 110.039 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -83.08 45.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -130.81 155.77 80.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.54 15.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 97.1 m95 -77.3 156.92 31.01 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -137.96 113.72 9.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 36.1 t-80 -68.65 101.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.55 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -123.98 167.93 13.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -109.75 141.73 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.52 155.55 46.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.3 t -148.46 153.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.3 mt -115.59 115.97 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -143.16 138.46 29.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.0 t30 54.91 30.68 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mttt 65.25 23.51 12.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.4 t -116.7 142.76 29.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -97.89 102.33 14.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -89.89 135.2 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 m -92.28 152.4 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 58.8 m-85 -152.58 -176.65 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.06 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.61 -40.14 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.11 175.04 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -87.45 140.4 29.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.31 -41.36 85.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -148.83 167.85 24.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.03 132.79 30.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -146.44 119.19 5.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 149.92 37.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 mt -97.59 37.91 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.8 106.56 18.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.63 -19.93 52.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.412 ' C ' ' OG1' ' A' ' 57' ' ' THR . 32.9 m-85 -64.48 -177.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 7.3 m -156.56 172.7 18.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -146.97 151.07 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.462 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.5 t -157.84 142.7 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 61' ' ' VAL . 1.6 tm? -73.62 141.9 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.464 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.457 ' HA ' ' CD2' ' A' ' 60' ' ' LEU . 68.5 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -109.44 -19.36 13.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -127.39 144.64 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.4 p90 -135.84 177.72 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -129.65 155.16 46.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.7 tp -105.64 98.23 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -80.63 146.92 30.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 16.1 t-80 -137.09 95.73 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 82.37 3.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 122.44 -25.1 6.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 143.97 25.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.52 133.48 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -101.59 -37.78 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -163.9 165.09 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.8 t -114.96 117.08 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 55.8 m-85 -110.59 123.14 49.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -106.67 153.98 21.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.18 156.21 40.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.92 -48.99 19.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -101.88 163.4 12.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 91' ' ' THR . . . -83.63 -58.0 2.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -42.16 -39.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.615 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.1 m -60.69 -48.11 83.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' ALA . 16.0 m -43.64 -56.11 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -49.25 -40.4 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 5.0 mtt180 -63.91 -50.97 66.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.525 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 23.5 m95 -60.51 -44.58 95.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.011 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.6 mt -56.8 -66.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.89 -32.95 55.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -68.25 -37.71 81.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.46 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 3.7 m-85 -82.21 -26.33 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -78.44 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.519 ' HA ' ' CG1' ' A' ' 103' ' ' VAL . 1.5 mt-10 -46.99 -28.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.82 -61.86 4.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.3 p -57.16 -26.08 59.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 0.0 110.45 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.519 ' CG1' ' HA ' ' A' ' 100' ' ' GLU . 4.8 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.44 164.83 15.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 0.0 109.979 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 61.41 145.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.22 -136.64 0.66 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 p -157.21 100.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.38 87.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.77 -169.03 22.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -78.31 157.7 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 0.0 110.047 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -39.87 -59.5 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.54 137.8 14.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.413 ' CB ' HG22 ' A' ' 30' ' ' VAL . 89.9 p -159.5 122.66 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.495 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 177.81 149.94 8.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.616 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 34.9 m-85 -60.66 135.7 57.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD11 ' CE2' ' A' ' 94' ' ' TRP . 2.1 mt -137.7 178.24 7.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -119.52 116.0 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -91.5 143.66 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -152.81 157.74 41.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.63 19.67 15.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.73 -170.88 22.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.5 m -79.9 150.65 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.29 -0.55 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -96.38 156.05 37.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.37 20.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 98.7 m95 -77.01 161.58 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.007 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -135.79 114.35 11.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.616 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 19.2 t-160 -79.76 108.85 13.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.57 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mt -141.43 165.7 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.495 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.6 t-105 -102.19 141.15 35.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.014 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -133.08 156.39 47.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.413 HG22 ' CB ' ' A' ' 11' ' ' SER . 29.4 t -150.18 152.97 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.9 mt -114.24 110.9 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.493 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 14.5 ttpp -138.19 140.56 39.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 51.9 25.38 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 68.39 30.33 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.2 t -122.36 137.47 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -92.09 97.92 11.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.521 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 48.9 m-85 -85.33 150.48 24.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.1 m -106.93 145.62 32.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.468 ' CD1' ' CG ' ' A' ' 44' ' ' ASP . 55.5 m-85 -145.12 -172.55 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -132.31 -46.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.42 148.29 51.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -55.81 -40.32 72.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.34 43.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.468 ' CG ' ' CD1' ' A' ' 39' ' ' TYR . 2.2 p30 -70.8 166.91 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.32 -20.77 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.13 147.32 7.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . . . -69.05 140.1 54.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 48.3 mt -67.52 -40.34 85.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -150.29 166.6 29.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.521 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -142.03 128.17 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -140.62 122.32 9.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 146.03 32.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.6 mt -92.75 36.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.23 103.97 16.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.29 -20.22 45.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -67.59 176.35 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -150.39 171.12 17.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG23 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.07 155.97 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.471 ' CG2' HD13 ' A' ' 74' ' ' LEU . 1.4 t -165.2 153.51 11.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD22 ' CD1' ' A' ' 95' ' ' ILE . 1.4 tm? -78.28 144.87 35.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.2 p -124.0 140.72 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -58.74 -53.11 62.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.401 ' N ' ' CD ' ' A' ' 62' ' ' LYS . 6.8 t0 59.21 171.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -107.07 -39.86 5.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.64 -51.33 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.7 m -113.91 172.86 6.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -113.96 -30.69 6.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.0 t -161.85 35.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -120.33 6.12 10.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 p -136.17 137.09 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.492 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.7 p90 -125.29 177.98 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -130.3 143.49 50.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 50.8 tp -95.46 101.66 13.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -84.14 147.97 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 34.3 t-80 -137.03 96.4 3.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 84.12 -6.65 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 132.93 -23.16 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.3 ptm -94.44 143.81 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.8 124.7 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.501 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 20.4 t80 -91.45 -41.04 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 18.4 m-85 -167.43 156.55 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.1 t -95.65 160.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -153.91 128.63 9.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -109.6 133.59 52.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.9 155.63 18.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.81 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -113.88 -176.51 2.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.08 83.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -49.77 51.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.553 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.4 m -57.56 -57.33 13.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 60.2 m -39.26 -57.27 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -48.66 -46.78 40.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 97' ' ' ALA . 5.2 mtm180 -56.58 -57.67 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.444 ' CE2' HD11 ' A' ' 14' ' ' LEU . 64.2 m95 -54.92 -45.84 74.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.432 ' CD1' HD22 ' A' ' 60' ' ' LEU . 32.4 mt -53.66 -70.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -51.96 -34.58 42.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' ARG . . . -63.19 -38.79 92.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.453 ' CB ' HG23 ' A' ' 58' ' ' VAL . 10.5 m-85 -82.56 -26.37 32.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -76.22 -46.31 28.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.451 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.3 OUTLIER -73.52 -4.05 31.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.81 -44.16 6.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.6 p -72.95 -33.78 66.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.39 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.451 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 24.6 m -89.56 -164.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.6 t -140.87 16.24 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 94.86 156.15 31.92 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 177.87 8.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.59 1.837 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -79.35 124.64 28.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.9 p -136.19 146.7 47.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -132.58 -58.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.6 89.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.62 -110.23 0.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.21 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.46 81.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.28 -142.55 3.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.5 m -62.44 155.06 26.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -51.08 -60.49 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 tpt -133.71 136.3 44.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.4 ' CB ' HG21 ' A' ' 30' ' ' VAL . 22.6 p -172.66 133.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 162.08 147.74 5.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.491 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 41.5 m-85 -58.97 131.12 50.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 0.81 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.549 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 22.8 mt -133.22 148.5 52.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -95.65 107.42 19.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 1.2 ttm180 -90.88 126.29 36.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.562 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -129.04 177.24 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.975 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.67 35.78 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' OG ' ' A' ' 17' ' ' SER . . . 140.99 -162.7 26.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -91.27 -57.92 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.8 -7.11 36.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -80.19 155.88 74.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.82 41.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CE3' ' HB3' ' A' ' 17' ' ' SER . 96.1 m95 -98.09 157.93 15.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 108.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -134.08 120.64 20.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.491 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 50.0 t-80 -75.77 115.8 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.649 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mt -145.85 169.89 17.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 33.7 t-105 -115.51 143.26 45.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -139.25 160.71 39.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' ILE . 13.9 t -152.01 163.46 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.476 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 42.8 mt -125.71 89.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -76.26 -102.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 18.3 t-20 -89.14 66.71 7.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 56.33 19.49 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 91.0 t -113.42 132.35 62.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -86.88 97.67 10.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 20.8 m-85 -87.02 135.67 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -90.78 140.86 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 47' ' ' ALA . 46.1 m-85 -140.43 -171.49 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -135.18 -46.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.35 160.48 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.413 ' HA ' ' CD2' ' A' ' 28' ' ' TRP . 77.3 p -54.33 -46.84 72.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.95 59.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -64.6 143.78 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.9 m -59.29 -32.12 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.37 163.82 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . . . -85.26 147.89 26.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.1 mt -71.04 -41.48 70.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -150.24 171.99 16.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -140.8 142.98 34.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -158.37 125.84 2.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 131.57 14.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.533 HD21 ' CD1' ' A' ' 98' ' ' PHE . 5.5 mt -68.19 -32.99 73.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.434 ' CD1' ' C ' ' A' ' 54' ' ' LEU . 0.9 OUTLIER -46.5 111.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 116.03 -38.9 2.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -71.39 -173.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.5 m -152.84 167.19 29.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.55 156.89 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.471 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.2 t -164.3 151.95 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.361 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 61' ' ' VAL . 2.7 tm? -76.69 142.03 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' N ' HD12 ' A' ' 60' ' ' LEU . 2.3 p -123.99 148.14 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -72.6 -69.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.8 t0 71.52 156.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -90.22 -21.34 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -82.39 -48.35 11.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.4 -175.2 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -130.29 -44.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 t -151.59 34.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -123.44 17.27 9.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 p -149.18 140.98 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -128.78 174.63 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -127.62 145.61 50.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' A' ' 98' ' ' PHE . 48.0 tp -95.0 97.98 10.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.471 HD11 ' CG2' ' A' ' 59' ' ' THR . 0.9 OUTLIER -81.54 145.78 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -137.4 112.73 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp 68.61 8.65 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.33 2.56 35.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.19 132.27 55.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 0.752 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -54.67 134.4 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.422 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 78.6 t80 -112.31 -30.39 7.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CE2' ' NH1' ' A' ' 16' ' ' ARG . 2.4 m-85 -170.9 158.5 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.94 157.07 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 70.3 m-85 -151.73 122.52 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -102.68 145.43 29.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.473 ' CB ' ' OG1' ' A' ' 91' ' ' THR . . . -106.39 158.04 17.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -51.56 37.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -117.08 -179.92 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.75 -57.02 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -47.13 -41.23 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 93' ' ' ARG . 22.9 m -56.3 -60.92 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.473 ' OG1' ' CB ' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -39.89 -50.94 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -54.64 -43.67 72.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 90' ' ' SER . 6.5 mtm180 -59.29 -48.01 83.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.549 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 70.3 m95 -63.42 -48.78 76.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 108.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 32.2 mt -50.57 -68.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.8 -40.45 60.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -57.94 -49.72 75.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.543 ' CE1' HD13 ' A' ' 73' ' ' LEU . 3.4 m-85 -68.25 -45.94 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -60.65 -59.28 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.427 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 16.9 mt-10 -55.55 -24.9 34.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.65 -54.48 7.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.1 p -56.13 -35.22 66.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.371 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.427 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 34.8 m -90.82 -166.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.1 t -135.41 17.78 3.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.39 -177.66 54.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 81.98 2.1 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.7 m 52.7 88.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -112.76 -57.64 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.13 -58.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.91 169.07 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.68 -178.36 16.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 p -139.35 169.7 17.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 110.019 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 m -148.09 -53.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.73 -100.05 1.08 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m -49.08 155.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.2 p -63.13 -56.22 18.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.509 ' HE1' ' CD1' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -165.52 150.27 8.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 p -178.4 148.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.49 161.57 9.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 49.6 m-85 -66.85 134.33 51.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.534 HD12 ' CZ2' ' A' ' 94' ' ' TRP . 51.7 mt -136.08 152.62 51.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.455 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 27.8 m-85 -94.95 113.21 24.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -93.14 139.9 30.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.497 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -142.65 168.17 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -104.48 22.17 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.1 -157.99 20.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 m -87.55 149.9 24.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 0.806 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm 76.88 1.23 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -99.69 156.14 35.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 153.31 41.72 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.497 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.5 m95 -91.41 158.3 16.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.43 120.01 18.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.651 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 33.8 t-80 -79.4 108.62 13.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.559 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.0 mt -136.18 169.76 17.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.404 ' HE3' ' CD1' ' A' ' 13' ' ' TYR . 44.9 t-105 -109.16 130.37 55.49 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.78 135.71 48.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.2 t -128.77 154.69 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.2 mt -116.03 88.96 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -117.33 140.85 49.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 51.61 41.33 28.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.62 21.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.2 t -116.05 127.59 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 51' ' ' GLN . 2.7 tm? -82.22 94.63 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.526 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 52.4 m-85 -80.52 152.09 28.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.5 m -106.56 139.55 40.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 56.0 m-85 -143.63 -176.92 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.23 -46.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.07 165.27 12.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.4 p -70.67 -48.94 52.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -101.64 46.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.517 ' OD2' ' CD1' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -58.02 170.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -17.27 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -164.26 150.53 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.552 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -78.13 141.69 38.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.2 mt -67.88 -39.5 83.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -152.65 167.78 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.526 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 1.4 p -142.23 119.69 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LEU . 2.0 mm-40 -134.71 132.12 20.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 130.13 13.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.767 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.436 HD22 ' CE1' ' A' ' 98' ' ' PHE . 14.8 mt -67.14 -20.99 65.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.1 tt -59.84 127.17 30.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.43 -42.42 1.92 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' C ' ' OG1' ' A' ' 57' ' ' THR . 39.8 m-85 -64.51 -177.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 2.7 m -153.86 170.3 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.462 HG23 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -147.36 158.5 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.452 ' CG2' HD13 ' A' ' 74' ' ' LEU . 5.9 t -163.51 141.77 7.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.446 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.439 HD13 ' N ' ' A' ' 61' ' ' VAL . 3.3 tm? -71.35 139.26 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -123.84 137.64 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -43.55 88.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 t70 52.46 176.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.56 -18.46 13.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.46 -42.72 29.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.34 -170.54 2.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -117.41 -36.35 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 t -163.56 30.47 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -113.13 18.03 18.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 p -146.33 143.17 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -132.69 177.75 7.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -128.76 145.67 51.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 29.2 tp -93.47 92.96 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 59' ' ' THR . 0.5 OUTLIER -78.77 153.27 30.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.409 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 14.7 t-80 -137.12 104.7 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 75.38 -55.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.76 35.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.3 ptt? -156.78 146.17 20.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.737 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 80' ' ' PHE . 59.2 t -69.98 139.37 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.427 ' N ' HG13 ' A' ' 79' ' ' VAL . 41.8 t80 -115.56 -35.49 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.426 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 3.8 m-85 -167.79 157.39 10.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.8 t -101.75 160.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -152.47 124.67 8.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -93.71 158.84 15.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.7 150.16 51.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.77 -66.68 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.31 -178.63 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -59.61 -59.16 5.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -40.53 -53.69 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.634 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 m -51.27 -59.44 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.5 m -39.31 -58.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -47.12 -43.39 20.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -60.77 -54.26 47.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.534 ' CZ2' HD12 ' A' ' 14' ' ' LEU . 75.8 m95 -58.67 -52.85 63.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.5 mt -45.4 -66.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -47.22 70.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 -38.46 37.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.462 ' CB ' HG23 ' A' ' 58' ' ' VAL . 4.4 m-85 -78.92 -36.1 42.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -67.27 -55.49 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.414 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 1.5 mt-10 -60.03 -32.14 70.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.51 -57.95 14.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.5 p -54.72 -41.72 70.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 0.0 110.411 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.414 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 26.6 m -88.52 -164.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 t -127.49 14.63 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 82.35 177.14 51.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -40.82 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 p -155.61 109.36 2.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.5 p -82.02 -33.93 29.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m 62.04 81.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 110.045 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -110.45 121.26 44.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.89 -94.35 0.98 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 t -164.86 122.61 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -140.3 -58.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.051 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.67 -108.97 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.0 m -75.71 166.45 23.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.5 m -72.46 -56.36 5.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 tpt -153.09 136.34 15.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 91.1 p -171.84 145.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.552 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 159.47 153.33 6.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 56.1 m-85 -61.3 128.14 34.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.48 HD12 ' CZ2' ' A' ' 94' ' ' TRP . 7.9 mt -130.38 153.83 48.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -96.59 110.1 22.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -90.81 135.3 33.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -142.79 157.24 44.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.83 18.35 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.99 -165.72 23.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 m -79.4 170.97 15.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.039 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm 52.06 24.11 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -120.58 156.15 56.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.95 22.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.5 m95 -79.86 136.27 36.65 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -108.53 115.11 29.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.594 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 6.7 t-80 -79.44 106.6 11.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -137.62 167.21 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.552 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 55.2 t-105 -105.39 142.91 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -138.39 149.27 45.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.8 t -139.24 155.34 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -112.94 93.65 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 37' ' ' TYR . 15.8 ttpt -122.33 132.04 54.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 48.4 t30 54.22 38.6 29.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.21 25.14 10.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.5 t -116.59 130.98 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -89.0 93.53 9.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 46.3 m-85 -79.22 149.95 31.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.2 m -100.4 142.47 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.514 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 55.2 m-85 -146.9 177.43 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.34 -45.13 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.98 150.83 27.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -43.42 -60.71 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.05 53.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -54.02 146.02 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -54.01 -35.05 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.84 176.63 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.514 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -90.16 145.53 24.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.1 mt -74.71 -39.57 61.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -151.07 173.47 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.7 131.8 26.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -143.8 115.84 5.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 146.69 32.96 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mt -93.08 39.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.13 108.09 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.42 -26.65 14.63 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.562 1.164 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.488 ' CE2' ' CD2' ' A' ' 75' ' ' HIS . 44.7 m-85 -58.08 178.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.409 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 3.7 m -154.86 169.85 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.445 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -141.93 159.67 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 1.3 t -171.45 159.91 5.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -77.86 143.1 38.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.447 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 5.8 p -120.02 149.94 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -107.79 104.32 13.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.95 159.38 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -23.37 67.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -92.91 -50.31 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.5 ' OG ' ' CG1' ' A' ' 70' ' ' VAL . 15.8 p -130.08 137.37 50.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 68' ' ' SER . 5.4 pt-20 -142.07 58.84 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER 158.72 -25.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 10.2 mttt -103.81 4.83 35.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.5 ' CG1' ' OG ' ' A' ' 66' ' ' SER . 7.0 p -127.48 140.54 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -129.64 177.55 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -131.31 143.96 50.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.3 tp -93.87 99.0 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -82.81 147.16 28.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 15.8 t-80 -137.13 97.62 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.625 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 1.4 mtmp? 83.58 -2.95 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.471 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 128.55 -23.08 5.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.29 148.22 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.6 t -73.8 127.67 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.436 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 35.5 t80 -98.02 -38.28 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 6.1 m-85 -164.21 158.85 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.0 t -100.53 159.93 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 50.5 m-85 -152.62 128.21 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -113.03 131.83 55.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.95 154.88 18.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -74.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -99.12 -179.26 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -78.62 -53.45 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -37.82 6.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -64.29 -54.07 39.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.6 m -41.33 -51.6 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 92' ' ' GLN . 19.4 mm100 -54.43 -46.01 73.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 6.5 mtm180 -56.5 -43.66 79.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.48 ' CZ2' HD12 ' A' ' 14' ' ' LEU . 27.9 m95 -70.04 -49.62 49.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.011 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 31.1 mt -50.76 -68.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -50.62 -41.63 55.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -56.03 -42.68 76.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.445 ' CB ' HG21 ' A' ' 58' ' ' VAL . 16.8 m-85 -77.82 -39.45 43.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -62.39 -48.07 81.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.45 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 2.6 mt-10 -69.08 -9.56 53.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.29 -41.71 7.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.1 p -74.27 -33.0 63.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 0.809 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.45 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 26.2 m -90.3 -164.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.8 t -132.01 12.14 4.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 103.86 156.91 24.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -57.1 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.58 1.831 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 m -61.65 151.83 32.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -103.5 93.77 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.97 124.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.37 -58.27 2.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.9 115.5 0.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -120.84 125.39 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.998 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -136.93 133.97 36.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.25 -88.89 1.06 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.6 m -97.78 144.92 26.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 m -49.58 -49.18 47.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.477 ' HB3' ' CZ3' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -158.48 153.53 25.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 p -172.46 125.4 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.59 149.98 7.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -59.47 127.99 34.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.57 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 2.4 mt -138.25 139.99 39.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 23.8 m-85 -83.12 114.83 21.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -102.16 144.37 30.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 t -141.12 171.39 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.041 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 16.02 26.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.82 -159.49 23.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 m -85.83 151.12 24.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 80.25 -3.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -96.88 156.13 36.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 152.18 40.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -91.31 141.76 28.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 108.029 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -139.33 108.49 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -72.46 143.59 48.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.659 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -150.02 168.12 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.523 ' CE2' ' HA ' ' A' ' 42' ' ' SER . 74.7 t-105 -96.6 126.18 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -126.26 145.29 50.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -141.88 121.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.7 mt -89.11 89.91 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.82 96.72 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.11 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -143.81 17.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.542 HG13 ' CE1' ' A' ' 37' ' ' TYR . 86.9 t -116.15 134.09 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -99.91 96.51 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 43.4 m-85 -86.55 140.96 29.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 39' ' ' TYR . 60.3 m -95.02 150.33 20.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 38.7 m-85 -147.86 -170.49 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -126.97 -43.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.26 172.63 7.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.523 ' HA ' ' CE2' ' A' ' 28' ' ' TRP . 2.4 t -62.54 -58.38 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.045 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -104.05 51.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -53.14 175.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -16.78 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -167.52 145.04 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -71.17 141.41 50.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.0 mt -70.48 -39.13 74.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -153.91 169.32 23.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -142.36 127.46 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -144.71 124.65 7.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.499 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.03 148.63 35.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 mt -92.98 30.25 1.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -87.67 113.83 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 95.67 -34.5 4.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 52' ' ' PRO . 51.5 m-85 -52.59 179.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -154.06 171.56 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.472 HG23 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -144.62 150.63 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.465 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.4 t -157.96 156.05 30.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 61' ' ' VAL . 1.1 tm? -87.22 143.49 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.427 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 0.7 OUTLIER -122.9 140.58 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -36.04 75.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 25.3 t0 52.51 177.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.57 -16.77 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -89.75 -54.64 3.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.88 -168.91 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -130.43 -44.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.2 t -146.97 31.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -124.31 25.48 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.4 p -149.82 140.14 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.1 p90 -135.22 177.97 7.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -133.57 146.24 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.2 tp -93.75 98.96 11.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER -81.36 147.59 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.55 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 16.0 t-80 -137.52 109.09 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 6.4 mtpt 67.83 9.27 7.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.53 -18.31 20.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.83 133.99 42.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 80' ' ' PHE . 53.6 t -58.19 138.21 19.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.56 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 19.2 t80 -108.8 -39.39 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-85 -170.62 166.98 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.7 t -103.05 161.49 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 75.5 m-85 -153.89 126.14 7.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 140.47 39.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.42 156.79 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.38 -60.03 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.45 -176.96 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 89' ' ' HIS . . . -69.45 -60.53 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -39.56 -40.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' THR . 3.7 m -61.3 -55.38 32.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.472 ' CG2' HD13 ' A' ' 95' ' ' ILE . 16.5 m -37.64 -54.04 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.33 -47.89 82.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 10.0 mtm180 -52.49 -49.04 65.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.57 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.7 m95 -65.54 -50.51 64.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.033 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.472 HD13 ' CG2' ' A' ' 91' ' ' THR . 26.1 mt -50.94 -66.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.81 -38.7 61.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -62.09 -31.0 71.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.472 ' CB ' HG23 ' A' ' 58' ' ' VAL . 6.3 m-85 -85.28 -33.16 22.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -69.0 -55.54 10.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -44.38 -39.71 4.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.1 -65.89 3.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.3 p -50.31 -44.23 54.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 17.5 m -82.9 -161.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.7 t -127.81 13.14 6.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.31 -161.36 44.96 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 164.28 33.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.3 m -106.49 106.84 17.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 m -89.39 -57.57 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.553 1.158 . . . . 0.0 111.063 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 m -150.31 -56.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -176.95 168.45 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.8 -171.54 46.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -135.13 126.17 27.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.042 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -98.36 82.68 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.962 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.6 -126.46 7.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -56.98 150.57 16.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 110.032 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.3 m -60.71 -58.23 9.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 tpt -149.2 123.71 9.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.2 p -161.08 160.87 30.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.543 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 141.47 167.13 11.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.16 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.635 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 23.6 m-85 -75.46 130.81 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.518 HD13 ' CZ2' ' A' ' 94' ' ' TRP . 26.1 mt -132.29 151.56 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -97.89 114.98 27.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -99.88 112.53 24.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 2.1 t -107.23 167.46 9.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 30.56 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.14 -137.85 5.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.405 ' HB2' ' CE ' ' A' ' 21' ' ' LYS . 14.7 m -105.66 -71.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' CE ' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER -76.8 2.92 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -69.93 156.06 92.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 126.05 9.75 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 76.3 m95 -70.23 166.23 20.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -136.1 107.64 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.635 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 6.7 t-80 -66.12 110.39 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.642 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -137.09 167.98 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 73.3 t-105 -107.65 139.68 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.029 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.5 154.43 50.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -149.94 141.16 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.4 mt -104.37 97.75 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -123.35 136.29 54.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.7 t30 55.4 33.8 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.16 21.52 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 63.4 t -115.18 131.1 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 3.0 tm? -87.99 91.8 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.495 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 52.9 m-85 -79.26 146.08 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 m -100.86 155.73 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.533 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 73.7 m-85 -157.43 -176.58 6.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.7 -45.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.51 155.9 43.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -62.88 -41.5 99.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.96 30.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' CG ' ' CD1' ' A' ' 39' ' ' TYR . 1.7 p30 -55.7 165.13 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.39 -18.58 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.98 154.2 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.533 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -78.54 137.81 38.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.35 -40.26 89.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -149.52 166.89 27.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.495 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -141.44 121.13 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.8 tp60 -134.99 125.55 17.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.79 7.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.4 mt -55.61 -25.25 37.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 54' ' ' LEU . 1.1 tm? -56.74 115.29 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 109.36 -34.81 5.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.674 ' CE2' ' CD2' ' A' ' 75' ' ' HIS . 48.4 m-85 -77.09 -179.68 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.0 m -151.45 175.7 12.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.443 HG22 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -147.04 157.13 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.453 ' CG2' HD11 ' A' ' 74' ' ' LEU . 3.4 t -161.79 152.5 17.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 95' ' ' ILE . 1.6 tm? -77.43 143.12 38.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.403 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 1.8 p -124.0 143.77 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.227 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -76.7 -58.95 2.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 65.34 168.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.57 -21.4 18.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -88.53 -56.85 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.415 ' CB ' HG13 ' A' ' 70' ' ' VAL . 9.6 m -95.15 -176.49 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -134.17 -44.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.2 m -156.57 32.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -123.63 25.21 8.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.415 HG13 ' CB ' ' A' ' 66' ' ' SER . 4.1 p -152.53 148.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 8.6 p90 -138.55 173.18 11.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.12 145.95 49.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 49.9 tp -95.38 97.73 10.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -79.98 146.31 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.674 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 53.3 t-80 -137.19 94.94 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 82.2 13.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 110.96 -25.5 14.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.7 mtm -88.41 144.22 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.4 t -75.23 133.9 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -98.92 -47.54 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -159.11 173.98 15.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 t -115.11 121.48 67.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.56 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 76.8 m-85 -113.57 122.91 48.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -103.2 141.04 36.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -106.26 150.5 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.0 -71.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -116.62 -175.71 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -53.86 51.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -45.13 -58.09 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 m -45.52 -55.92 5.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.413 HG21 ' N ' ' A' ' 70' ' ' VAL . 28.6 m -44.56 -62.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -44.34 -57.83 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.72 -64.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.518 ' CZ2' HD13 ' A' ' 14' ' ' LEU . 59.2 m95 -48.08 -52.96 18.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.433 ' CD1' HD22 ' A' ' 60' ' ' LEU . 56.1 mt -46.32 -59.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -57.38 -46.55 83.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.39 -34.73 64.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.443 ' CB ' HG22 ' A' ' 58' ' ' VAL . 2.8 m-85 -81.1 -28.29 35.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -78.54 -54.92 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.439 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 47.7 mt-10 -58.93 -35.29 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.18 -48.07 74.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.8 p -63.82 -40.42 96.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.439 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 19.7 m -86.33 -162.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.6 t -144.36 17.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -56.14 -174.15 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.3 t -90.82 -58.7 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.06 86.11 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 110.05 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.41 158.67 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 p -142.78 167.89 21.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.57 173.59 34.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.67 140.3 32.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.85 130.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.43 -88.29 0.11 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -48.64 147.81 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -41.3 -61.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 tpt -155.87 119.48 4.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 p -145.04 154.81 42.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.482 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 152.1 136.95 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.413 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 56.2 m-85 -51.23 134.29 27.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.8 mt -136.19 156.17 49.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.529 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 26.5 m-85 -98.83 114.55 27.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -92.34 138.19 31.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -144.51 160.17 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -114.26 41.63 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.33 -174.73 21.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -75.21 -56.5 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 0.797 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -79.87 50.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -130.67 155.85 80.66 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.77 41.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 96.6 m95 -93.41 131.61 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.93 114.02 27.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 3.1 t-160 -79.46 106.96 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mt -137.79 169.47 17.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.482 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 56.3 t-105 -104.94 142.81 34.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 108.024 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.83 153.46 49.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -142.48 167.89 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -130.2 89.3 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 3.9 ttmt -113.05 129.23 56.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 62.89 24.77 14.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.85 6.34 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 82.5 t -98.35 131.77 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 2.7 tm? -85.17 94.42 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 57.6 m-85 -81.3 142.53 33.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.9 m -97.53 149.15 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 68.6 m-85 -151.26 177.21 10.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.12 -44.55 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.97 152.33 28.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -45.22 -52.87 8.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -114.18 54.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -57.1 146.17 28.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.31 -33.64 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -161.44 176.29 11.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.479 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.05 139.76 30.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 46.1 mt -69.67 -41.97 74.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -147.54 169.27 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.16 135.39 30.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 45.9 tp60 -152.99 123.31 3.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.5 Cg_endo -74.95 144.75 30.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.0 mt -91.36 40.82 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.3 tt -96.67 124.1 40.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.44 -11.62 58.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 75' ' ' HIS . 27.8 m-85 -79.44 -179.95 7.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 m -152.89 170.55 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.09 151.55 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.457 ' CG2' HD11 ' A' ' 74' ' ' LEU . 4.0 t -161.31 148.72 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' ' N ' ' A' ' 61' ' ' VAL . 1.7 tm? -73.42 143.09 46.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.46 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -123.84 136.17 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 102.84 14.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -95.62 168.79 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -81.98 -49.7 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -66.56 -54.18 26.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.94 167.56 10.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -105.38 -97.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.52 35.32 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -106.59 -0.24 23.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.5 146.11 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.4 p90 -134.94 177.75 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -131.43 142.54 50.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 tp -93.96 96.19 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -79.87 147.56 31.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 11.8 t-80 -136.94 96.45 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 2.8 mtmp? 81.01 2.91 1.64 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 123.89 -26.0 6.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mtp -88.25 146.16 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.3 t -75.71 128.57 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -95.74 -40.78 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -161.96 167.69 24.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 40.2 t -117.85 116.68 52.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 59.6 m-85 -108.08 123.68 49.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.94 133.87 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -108.64 148.04 30.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.67 -65.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -88.8 168.18 12.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.24 -55.17 5.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -40.21 -54.86 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -46.76 -53.18 12.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 29.1 m -44.15 -60.0 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -53.39 -45.75 69.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 9.9 mtm180 -55.5 -49.99 71.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 39.9 m95 -64.21 -49.12 73.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 107.986 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.7 mt -53.24 -66.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -37.74 56.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -64.49 -37.39 87.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -81.47 -22.38 38.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -82.47 -39.07 23.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.463 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.9 OUTLIER -78.48 -12.95 60.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.1 -60.72 4.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 80.4 p -50.86 -36.86 39.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 110.43 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 20.9 m -86.91 -162.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.2 m -165.77 95.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -40.97 157.33 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 67.47 5.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.7 p -63.46 136.43 57.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.1 t -134.49 -59.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -162.51 150.21 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.37 122.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.95 -172.02 13.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.36 134.16 37.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.87 143.11 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.76 127.44 8.81 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.6 m 63.13 170.24 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 0.743 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.5 m -64.82 -55.18 21.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.64 151.88 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p -168.58 142.91 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.94 161.36 10.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -75.29 129.6 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 94' ' ' TRP . 5.0 mt -134.94 144.9 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 15.4 m-85 -82.96 116.55 22.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.21 124.31 47.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.476 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 42.5 t -119.66 178.94 4.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.85 26.85 9.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.23 -145.03 13.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -95.2 -67.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mtmm -75.64 53.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -130.7 156.03 80.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.8 20.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 98.7 m95 -83.37 145.26 29.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -138.02 107.27 6.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -73.45 98.9 2.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.65 169.02 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -101.01 137.05 39.89 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -137.92 145.73 42.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.2 t -137.67 123.52 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -88.81 92.59 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -117.12 136.57 52.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 54.12 30.66 12.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.83 22.6 11.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -115.91 127.33 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -82.13 96.84 7.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -85.66 133.07 34.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 39' ' ' TYR . 54.0 m -88.94 149.85 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 47' ' ' ALA . 49.1 m-85 -149.51 -172.48 4.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.25 -45.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.44 172.25 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 t -63.39 -48.91 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -115.96 61.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -69.59 142.73 53.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.085 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -52.28 -29.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -164.03 175.68 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.508 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.47 146.15 26.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.0 mt -71.93 -38.02 69.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -152.09 168.4 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.83 136.5 35.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.045 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.59 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 1.5 mm-40 -155.6 128.42 4.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 128.44 11.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD22 ' CE1' ' A' ' 98' ' ' PHE . 38.4 mt -67.49 -12.77 61.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.1 tt -65.67 130.33 42.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 -26.69 16.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.59 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 25.4 m-85 -82.83 -177.33 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.4 m -154.05 176.59 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.367 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.19 155.95 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.459 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -162.32 156.95 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' CD1' ' N ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -83.32 144.33 29.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.407 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -120.9 145.34 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 73.77 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -53.16 179.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -37.69 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -119.4 -40.45 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 67' ' ' GLU . 14.6 m -39.47 102.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 66' ' ' SER . 17.6 mt-10 -46.12 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.7 m -124.47 72.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -130.36 6.78 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -138.73 142.04 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.516 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.5 p90 -135.81 169.01 18.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -122.88 150.35 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.1 tp -97.83 96.25 8.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 HD11 ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER -78.82 148.35 32.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 25.3 t-80 -137.13 95.0 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 2.7 mtmp? 82.98 -5.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.418 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 132.89 -22.55 4.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.3 mtt -94.64 141.56 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 0.796 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 80' ' ' PHE . 25.2 t -69.25 137.74 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.404 ' N ' HG12 ' A' ' 79' ' ' VAL . 20.9 t80 -106.98 -43.15 4.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -162.95 156.15 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.0 t -100.01 155.74 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.516 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 91.4 m-85 -148.14 132.29 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -111.1 145.26 38.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.432 ' CB ' ' OG1' ' A' ' 91' ' ' THR . . . -114.69 154.95 27.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -67.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -119.91 -169.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.66 -44.62 63.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -51.9 -54.47 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.577 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.1 m -51.83 -57.78 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.443 ' CG2' HD11 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -40.39 -58.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -48.8 -51.35 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -52.06 -54.05 34.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.515 ' CD2' HD12 ' A' ' 14' ' ' LEU . 70.5 m95 -59.86 -51.16 70.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.029 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.443 HD11 ' CG2' ' A' ' 91' ' ' THR . 17.1 mt -47.43 -68.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.9 -44.25 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.81 -30.89 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.461 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 1.9 m-85 -86.92 -27.33 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -77.73 -53.17 7.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.441 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.3 OUTLIER -56.74 -32.05 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.54 -50.92 45.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 45.3 p -60.49 -39.77 88.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.408 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.441 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 26.4 m -87.4 -164.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.1 t -147.11 18.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.12 -168.57 25.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 102.88 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.3 t -44.57 -62.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.19 164.89 26.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.973 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -60.38 -56.85 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.59 -57.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.16 64.87 0.53 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -105.42 155.89 18.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 0.803 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -82.56 150.51 26.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.046 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.32 -151.34 17.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.5 m -73.48 161.65 30.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -47.99 -52.0 21.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.19 137.22 10.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 111.027 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.1 p -149.51 170.45 18.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.46 143.32 5.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -48.27 140.35 7.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.91 171.65 12.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.612 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 23.4 m-85 -125.78 105.17 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -92.38 136.83 32.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 t -138.64 178.75 6.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.65 26.05 9.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.98 -167.26 29.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -86.27 -47.33 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.746 . . . . 0.0 110.008 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -85.86 40.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -127.81 155.71 76.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.75 30.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -86.67 137.47 32.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -107.94 102.83 11.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.612 ' CD2' ' CD1' ' A' ' 15' ' ' TYR . 38.9 m170 -63.21 102.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -130.42 170.57 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -109.87 140.59 43.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 108.018 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -141.05 143.69 34.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -134.55 140.95 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.7 mt -103.24 89.43 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -77.73 100.74 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.24 -79.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' LYS . 29.3 mttt -143.37 17.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.405 HG13 ' CE1' ' A' ' 37' ' ' TYR . 92.5 t -115.26 122.49 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 2.6 tm? -90.74 95.29 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 43.2 m-85 -82.81 159.23 22.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.418 HG21 ' N ' ' A' ' 39' ' ' TYR . 6.2 m -106.7 157.94 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 59.1 m-85 -157.45 -179.03 7.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -124.78 -44.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.48 176.44 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.1 p -63.8 -54.99 26.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -112.74 61.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.29 143.68 57.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -29.8 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.36 164.74 17.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -75.53 148.51 38.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.4 mt -76.61 -38.5 54.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -152.7 170.51 20.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -139.07 130.4 26.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.414 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 53.6 tp60 -150.04 123.53 4.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.414 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.3 Cg_endo -75.04 156.39 42.79 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.472 1.775 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.565 HD22 ' CE1' ' A' ' 98' ' ' PHE . 3.6 mt -97.15 30.62 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.1 tt -88.56 123.56 33.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.22 -27.95 7.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -66.56 -177.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' LEU . 5.1 m -154.51 171.3 19.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 98' ' ' PHE . 1.1 t -147.09 153.48 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.47 ' CG2' HD12 ' A' ' 74' ' ' LEU . 2.1 t -159.91 148.28 17.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD2' ' N ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -88.73 137.62 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.457 ' N ' ' CD2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -119.94 130.35 74.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -37.81 86.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.9 174.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.6 -15.59 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -82.54 -39.82 21.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.62 142.57 29.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.17 -173.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.6 p -39.35 109.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' O ' ' CG2' ' A' ' 91' ' ' THR . 3.7 tttt 175.17 -35.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.0 p -100.26 143.23 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -131.81 177.77 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -129.86 146.61 51.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.3 tp -93.86 99.25 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER -82.32 147.89 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.453 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 9.8 t-80 -137.2 108.05 6.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.453 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 3.6 mtpt 68.03 9.77 7.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.87 -24.37 10.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.97 134.87 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.16 135.5 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.403 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 47.2 t80 -108.51 -37.23 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 4.1 m-85 -166.86 172.93 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.8 t -114.66 156.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 50.0 m-85 -147.97 134.54 19.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -123.79 142.99 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.26 149.15 34.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.29 -61.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.16 178.25 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.47 12.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -49.04 -30.26 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.565 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.7 m -73.05 -41.21 64.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.471 HG21 ' CD1' ' A' ' 95' ' ' ILE . 25.2 m -45.2 -65.92 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -38.74 -53.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -50.68 -64.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -49.48 -52.08 31.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 107.998 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 91' ' ' THR . 81.7 mt -49.22 -62.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -53.36 -45.15 69.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.34 80.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.565 ' CE1' HD22 ' A' ' 53' ' ' LEU . 5.9 m-85 -73.67 -14.36 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -89.81 -62.16 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.432 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -44.95 -33.95 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.72 -70.67 0.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 61.3 p -43.95 -41.19 5.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 27.0 m -87.73 -164.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.9 t -151.08 21.2 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.981 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.66 161.81 11.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.87 32.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.3 t -177.24 -60.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.9 t -86.68 119.24 26.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -47.07 119.83 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 109.986 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -124.7 149.23 47.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.2 -159.04 23.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m 50.02 89.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 110.027 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 p -169.37 144.4 3.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.39 -102.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.9 m -69.07 166.92 17.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.8 m -51.17 -59.24 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.4 tpt -143.58 137.33 28.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.3 p -168.31 149.26 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.569 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 150.07 137.45 2.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.649 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 36.0 m-85 -41.41 134.9 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' A' ' 85' ' ' ALA . 43.3 mt -131.12 172.3 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -116.85 101.29 8.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.449 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 9.9 ttt180 -91.87 125.37 36.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.559 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 28.8 t -132.65 166.39 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -108.07 28.18 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.18 -171.52 30.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -83.74 -45.52 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -88.28 17.38 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -101.6 155.85 35.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.12 15.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 90.7 m95 -73.2 158.12 35.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -129.81 108.1 9.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.649 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 15.6 t-80 -71.89 109.77 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -140.93 170.37 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.569 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 40.4 t-105 -110.56 140.31 44.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 107.979 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -139.71 150.49 44.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.1 t -135.3 159.77 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 57.8 mt -120.54 95.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -126.09 134.47 51.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 59.92 24.89 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.23 21.21 7.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.4 t -110.75 137.26 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 36' ' ' LEU . 3.2 tm? -91.48 91.01 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -79.8 153.83 28.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.0 m -105.61 152.83 22.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.511 ' CZ ' ' HB1' ' A' ' 47' ' ' ALA . 69.9 m-85 -155.4 178.67 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -125.46 -45.87 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.58 165.17 12.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t -55.24 -55.43 31.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.964 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -113.88 59.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.24 146.78 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -33.47 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.74 178.18 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' A' ' 39' ' ' TYR . . . -83.45 142.71 30.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.6 mt -71.75 -38.67 70.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -151.76 170.37 19.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.77 140.53 45.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -155.89 114.63 2.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.437 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 148.71 35.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.7 mt -91.21 39.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.448 ' O ' ' CD1' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -87.95 104.32 16.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.01 -28.13 17.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE1' ' O ' ' A' ' 52' ' ' PRO . 49.3 m-85 -56.22 175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LEU . 4.0 m -154.81 169.2 24.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.464 ' CG2' ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -140.81 154.28 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.474 ' CG2' HD11 ' A' ' 74' ' ' LEU . 4.8 t -161.5 124.78 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.08 141.78 57.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.91 133.51 69.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -102.31 118.63 37.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -109.05 168.52 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -28.9 67.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -100.69 -58.52 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.94 134.25 34.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -133.66 129.48 36.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.7 t 41.74 32.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.034 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.91 7.42 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.2 p -152.08 134.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 4.0 p90 -125.36 175.31 7.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -126.92 152.42 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.413 HD13 ' CE1' ' A' ' 98' ' ' PHE . 32.4 tp -103.83 96.76 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -78.9 147.15 33.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -137.07 99.7 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 78.05 4.43 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 122.0 -27.44 6.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.7 142.56 27.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.2 t -70.34 134.04 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -99.21 -42.31 7.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 11.7 m-85 -165.98 160.3 16.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.2 t -105.55 114.06 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.449 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 48.0 m-85 -105.19 132.39 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -127.83 123.51 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.433 ' HA ' ' CD2' ' A' ' 14' ' ' LEU . . . -84.6 149.52 25.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -40.55 -67.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.61 179.73 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.72 -42.3 15.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.425 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 40.8 m170 -53.44 -31.54 45.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -72.82 -42.49 63.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.4 m -44.5 -61.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -39.83 -60.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -48.64 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 59.4 m95 -48.1 -55.44 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 107.981 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 56.0 mt -43.78 -64.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -54.08 -43.55 70.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.37 -35.65 19.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.464 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 16.6 m-85 -85.11 -42.22 14.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -62.13 -50.3 72.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -70.18 -10.55 59.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.32 -57.08 3.04 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 33.6 p -60.1 -38.91 84.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.406 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 20.1 m -84.41 -162.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.3 t -148.0 19.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -53.42 -170.55 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.54 5.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.429 1.752 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 m 63.9 160.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.7 p -141.77 125.7 17.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -95.4 169.33 10.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.794 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.28 139.4 30.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.14 -154.41 20.17 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -174.1 94.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -143.7 142.52 31.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.09 -151.7 42.65 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 m -113.62 167.82 10.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 m -54.33 -64.66 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.523 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -155.38 154.4 31.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -178.8 168.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.956 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.56 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 134.59 148.4 5.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -60.39 132.88 55.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.514 HD11 ' CD2' ' A' ' 94' ' ' TRP . 32.9 mt -131.71 177.25 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.788 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 21.1 m-85 -123.96 107.18 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 15.2 ttt180 -91.19 107.46 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -107.93 177.97 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.9 5.15 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.74 -150.28 10.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.02 -56.23 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 110.031 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -80.43 5.56 14.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -82.43 156.26 68.65 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 137.4 21.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 97.8 m95 -78.99 151.45 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -122.8 103.22 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.788 ' CD2' ' CD1' ' A' ' 15' ' ' TYR . 36.8 m170 -67.66 102.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mt -132.98 169.95 16.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 65.4 t-105 -110.22 145.51 37.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CZ ' ' HD2' ' A' ' 16' ' ' ARG . 75.0 m-85 -141.52 158.33 43.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.82 148.61 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -117.21 90.45 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.88 -39.19 38.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -171.38 -53.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 5.1 mttt -148.99 21.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.0 t -126.25 119.52 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -82.43 93.8 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -84.99 137.35 33.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.423 HG21 ' N ' ' A' ' 39' ' ' TYR . 1.9 m -91.76 158.66 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.52 ' CZ ' ' HB3' ' A' ' 47' ' ' ALA . 56.4 m-85 -156.95 -174.21 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.22 -46.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.077 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.4 -176.41 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 t -62.51 -74.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -102.09 53.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -48.19 149.32 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.73 -30.83 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.31 164.68 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.52 ' HB3' ' CZ ' ' A' ' 39' ' ' TYR . . . -76.62 144.55 39.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.1 mt -72.01 -45.37 61.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -143.37 168.83 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.22 123.29 15.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.411 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 60.5 tp60 -144.58 117.38 5.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.1 Cg_endo -74.99 156.77 43.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.21 30.31 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 105.19 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.71 -26.42 20.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.469 ' CZ ' ' CD2' ' A' ' 75' ' ' HIS . 39.7 m-85 -58.36 -179.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' LEU . 5.4 m -155.44 170.46 21.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -142.4 155.15 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.454 ' CG2' HD12 ' A' ' 74' ' ' LEU . 1.3 t -164.79 155.13 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 68' ' ' SER . 0.5 OUTLIER -82.23 146.12 29.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.421 ' N ' HD11 ' A' ' 60' ' ' LEU . 2.8 p -124.01 147.97 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -57.09 -88.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 12.4 t0 83.07 -2.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 9.4 tt0 68.88 120.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 5.5 t-20 87.3 -44.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.457 ' CB ' HG13 ' A' ' 70' ' ' VAL . 0.8 OUTLIER -79.31 106.41 11.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.959 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.42 -29.23 23.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.469 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -168.48 45.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.36 -35.65 5.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' CB ' ' A' ' 66' ' ' SER . 7.4 p -113.15 140.34 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CE2' ' CB ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -133.9 178.36 7.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -131.45 152.39 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -103.91 96.98 7.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -78.25 147.9 34.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.469 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 13.0 t-80 -137.16 95.23 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.591 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 81.13 2.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 124.56 -25.8 5.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.8 mtt -92.31 138.56 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.05 138.08 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -104.42 -41.4 5.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.408 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 4.5 m-85 -160.36 172.56 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.3 t -119.19 121.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.591 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 54.7 m-85 -110.5 122.33 47.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -113.53 135.98 53.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.42 153.76 23.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.61 -44.61 90.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.47 171.88 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.15 -52.11 4.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -48.35 -39.83 23.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.8 m -61.66 -38.63 88.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.549 HG21 ' CD1' ' A' ' 71' ' ' PHE . 21.0 m -52.1 -57.48 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' THR . 17.1 mm-40 -38.66 -52.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -62.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.523 ' CD2' ' SD ' ' A' ' 10' ' ' MET . 56.9 m95 -43.46 -51.15 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.449 ' CD1' HD21 ' A' ' 60' ' ' LEU . 43.8 mt -50.22 -70.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.89 -41.61 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.84 -45.74 78.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -73.63 -44.91 55.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -61.5 -56.62 18.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.459 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 17.9 mt-10 -52.05 -32.27 33.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' A' ' 34' ' ' LYS . . . -65.0 -63.62 4.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 55.1 p -51.32 -40.25 58.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.417 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 20.7 m -87.05 -163.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.8 t -113.85 18.34 17.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 100.67 -157.61 19.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.494 1.122 . . . . 0.0 111.064 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -41.44 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.6 p -175.59 87.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m 63.81 168.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -106.47 160.48 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.36 158.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.07 172.43 6.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -135.53 95.55 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.976 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -76.86 94.24 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.038 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.65 -175.48 43.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -44.98 151.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.4 m -53.74 -45.98 70.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -171.4 123.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -147.0 -74.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.494 ' O ' ' CE3' ' A' ' 28' ' ' TRP . . . 34.28 -147.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD2' ' CE3' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -124.18 150.29 45.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.417 HD12 ' CD2' ' A' ' 94' ' ' TRP . 94.6 mt -145.14 171.91 13.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.752 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 23.9 m-85 -122.75 116.16 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.564 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.21 135.17 33.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.5 158.66 43.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.82 14.15 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.99 -168.19 26.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.38 169.23 17.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.82 21.06 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -110.87 156.08 41.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -78.89 133.74 36.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 108.005 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.61 103.87 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.752 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 35.7 m170 -62.65 100.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.1 mt -126.75 161.96 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.494 ' CE3' ' O ' ' A' ' 12' ' ' GLY . 60.0 t-105 -102.32 141.66 34.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -136.89 147.51 46.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG22 ' CD2' ' A' ' 39' ' ' TYR . 40.2 t -137.44 154.38 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.0 mt -120.49 104.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 7.7 ttpp -135.4 144.35 46.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.2 t30 51.93 28.59 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 tptt 63.65 36.06 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.6 t -128.9 135.49 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' HB2' ' CD2' ' A' ' 53' ' ' LEU . 2.7 tm? -88.28 93.06 9.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 42.7 m-85 -79.31 145.49 33.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 35.4 m -99.51 152.29 20.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.437 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.537 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 71.5 m-85 -157.04 178.66 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.45 -42.6 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.35 167.89 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 t -77.07 -23.42 51.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 22.7 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' OD2' ' CD1' ' A' ' 39' ' ' TYR . 3.1 p30 -71.76 157.33 38.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.57 -17.24 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -159.14 147.21 17.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.537 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -70.68 142.66 51.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.9 mt -67.66 -38.96 84.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -149.45 165.61 31.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.96 132.94 31.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.2 mm100 -148.46 127.99 6.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 128.34 11.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' A' ' 36' ' ' LEU . 14.2 mt -67.32 -32.98 74.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.53 102.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.42 30.71 2.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 75' ' ' HIS . 26.6 m-85 -139.74 -171.91 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' LEU . 6.9 m -155.98 171.66 19.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -146.48 159.62 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.469 ' CG2' HD12 ' A' ' 74' ' ' LEU . 1.4 t -168.21 162.22 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -85.12 140.77 30.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.432 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -121.62 137.48 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -50.74 -55.4 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.62 -170.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.21 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' SER . 2.7 t-20 -125.36 -42.47 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 65' ' ' ASN . 38.6 m -36.14 101.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.39 -22.08 57.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.2 t -167.67 33.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -112.2 11.37 20.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -156.61 154.44 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.3 p90 -146.21 177.03 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -127.01 154.86 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 18.3 tp -103.54 96.04 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 109.293 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.469 HD12 ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER -78.98 147.62 32.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 28.7 t-80 -136.21 95.65 3.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 75' ' ' HIS . 4.6 mtpt 80.77 2.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.412 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 124.14 -23.9 6.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.77 141.34 28.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 80' ' ' PHE . 55.0 t -68.81 138.47 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.425 ' N ' HG11 ' A' ' 79' ' ' VAL . 33.7 t80 -108.29 -38.22 5.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.462 ' CE2' ' NH1' ' A' ' 16' ' ' ARG . 3.7 m-85 -166.34 167.33 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 83.9 t -113.21 111.48 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.564 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 29.0 m-85 -104.46 124.84 49.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -112.6 134.77 53.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.69 150.15 21.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.26 -63.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.82 -178.28 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.42 -48.63 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -48.91 -38.37 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 m -62.51 -48.18 80.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -39.25 -65.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -44.14 -53.36 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -50.57 -60.72 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 10' ' ' MET . 69.1 m95 -50.26 -54.31 22.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 18.9 mt -45.43 -64.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -53.61 -44.5 69.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.57 -48.24 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -70.2 -41.01 74.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -58.5 -58.37 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.406 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 11.5 mt-10 -59.32 -34.28 72.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.15 -59.67 9.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 61.0 p -53.16 -42.56 66.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.423 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.406 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 26.0 m -87.99 -164.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.8 t -138.5 13.1 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 125.07 155.79 9.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.3 4.87 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 t -178.94 169.28 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.8 m -105.9 128.04 53.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -86.04 81.63 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.3 p -98.63 156.24 16.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.04 173.59 25.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -138.32 115.78 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t 60.43 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.23 146.13 4.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.6 m -61.26 143.81 54.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -40.5 -65.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.485 ' HE2' ' CE2' ' A' ' 94' ' ' TRP . 5.8 tpt -143.67 129.43 19.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 p -158.98 143.81 15.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.056 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.41 155.94 7.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -68.81 134.36 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.801 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 HD11 ' CH2' ' A' ' 94' ' ' TRP . 21.8 mt -134.39 168.29 19.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.726 ' CE1' ' CG ' ' A' ' 26' ' ' HIS . 26.5 m-85 -112.76 116.42 30.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -97.39 128.38 44.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -124.93 173.53 8.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.42 29.6 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.25 -154.51 25.56 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.77 -53.24 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -80.65 3.26 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -82.45 156.08 68.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 150.29 37.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.9 m95 -87.32 152.85 21.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 110.2 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.726 ' CG ' ' CE1' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -66.25 118.34 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.594 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -143.14 163.86 31.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -110.53 139.99 45.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 107.989 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -139.79 157.54 45.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -144.86 152.76 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -109.77 101.5 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -130.86 132.42 45.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.4 t30 58.51 24.43 11.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 68.58 33.89 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -126.41 132.34 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 3.1 tm? -87.05 91.12 8.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -79.65 146.54 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 7.4 m -95.87 160.39 14.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.34 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.483 ' CG ' ' O ' ' A' ' 38' ' ' THR . 84.6 m-85 -162.61 171.31 17.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.17 -39.52 3.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.34 165.04 16.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -50.44 -64.1 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.52 61.82 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.35 150.41 43.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -50.61 -31.85 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -170.4 167.28 8.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -71.2 145.25 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 70.8 mt -77.23 -36.92 54.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -151.08 177.67 9.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.253 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.54 140.63 33.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -155.14 113.56 2.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 145.66 31.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mt -94.98 32.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.29 110.35 16.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.67 -29.63 8.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 31.9 m-85 -52.5 179.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -152.7 170.58 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -142.76 150.42 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.452 ' CG2' HD13 ' A' ' 74' ' ' LEU . 4.1 t -157.55 149.79 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.443 ' CD1' ' N ' ' A' ' 61' ' ' VAL . 1.3 tm? -79.5 143.55 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.443 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -123.7 132.89 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -89.3 110.18 20.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.85 166.58 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' HG2' ' N ' ' A' ' 65' ' ' ASN . 1.6 pt-20 -69.86 -26.18 64.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.413 ' N ' ' HG2' ' A' ' 64' ' ' GLU . 3.0 m-20 -89.41 -63.23 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.4 m -105.39 131.89 52.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.46 -36.3 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.18 35.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -123.67 21.94 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.0 p -149.91 136.83 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.3 p90 -131.62 177.2 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -133.27 145.43 50.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.8 tp -93.61 97.75 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER -80.58 145.86 31.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER -137.13 119.19 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.63 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 0.4 OUTLIER 59.79 13.2 3.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 110.92 -29.1 9.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.483 ' HG2' ' CG ' ' A' ' 76' ' ' LYS . 5.7 ptp -89.18 140.59 29.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 80' ' ' PHE . 56.0 t -62.0 141.39 17.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' N ' HG11 ' A' ' 79' ' ' VAL . 15.1 t80 -108.84 -38.77 5.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -165.82 -179.47 5.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 t -125.65 116.13 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.461 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 55.3 m-85 -108.95 138.97 44.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.11 149.27 39.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' CB ' ' OG1' ' A' ' 91' ' ' THR . . . -111.18 157.84 19.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.84 -64.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -115.01 -179.82 3.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.76 -47.61 84.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -51.84 -58.93 5.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.555 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.1 m -40.3 -57.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.449 ' CG2' HD12 ' A' ' 95' ' ' ILE . 1.2 m -45.06 -60.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -49.09 -52.88 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.455 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -55.5 -50.48 69.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.485 ' CE2' ' HE2' ' A' ' 10' ' ' MET . 72.8 m95 -57.84 -47.82 81.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 107.964 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.449 HD12 ' CG2' ' A' ' 91' ' ' THR . 61.3 mt -52.45 -71.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -50.75 -36.0 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.455 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -62.73 -36.61 83.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.443 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 9.8 m-85 -84.44 -34.16 23.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -67.81 -41.17 83.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 3.0 mt-10 -67.52 -27.37 66.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.25 -52.15 38.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.8 p -61.83 -44.36 97.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.452 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 16.3 m -80.89 -161.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.0 m -167.14 95.76 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -110.9 -172.08 19.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 89.36 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.4 165.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.85 -60.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 m -153.66 105.34 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 p -133.77 160.3 38.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.98 63.49 2.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.127 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -134.19 112.98 11.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 109.974 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.77 138.03 55.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.46 -136.5 31.97 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -79.94 145.77 32.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 m -38.96 -59.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.87 139.17 26.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.9 p -157.02 113.94 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -171.27 160.55 32.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -76.96 134.62 38.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.526 HD13 ' CH2' ' A' ' 94' ' ' TRP . 8.5 mt -136.95 161.11 36.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.807 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 24.0 m-85 -108.83 123.13 48.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.52 139.3 32.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -141.62 161.87 36.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 39.52 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.99 -179.09 18.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' LYS . 2.0 m -65.8 -77.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -70.12 57.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' SER . 4.2 mmtt -130.03 156.03 79.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 136.79 21.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.7 m95 -81.27 153.97 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -131.57 109.01 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.807 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 36.5 m170 -63.08 110.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -134.36 164.25 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 43.1 t-105 -119.75 127.7 53.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' CD1' HD11 ' A' ' 36' ' ' LEU . 88.2 m-85 -122.91 159.97 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 t -151.11 133.7 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.3 mt -95.82 93.94 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -86.69 -98.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.514 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 14.0 t-20 -93.09 63.93 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 56.37 21.8 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 92.1 t -115.0 130.56 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 29' ' ' PHE . 3.3 tm? -85.76 93.6 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 23.6 m-85 -81.67 150.05 28.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 m -111.18 156.57 21.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.565 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 70.7 m-85 -152.71 178.4 9.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.433 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -116.84 -9.59 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 173.3 -175.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 p -91.98 12.38 22.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.038 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -112.67 -23.93 9.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.84 141.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -72.81 -27.84 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -152.91 -174.97 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.565 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -86.22 141.89 28.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.433 ' CD1' ' HB3' ' A' ' 40' ' ' ALA . 96.8 mt -68.23 -41.3 81.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -141.27 163.33 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.501 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -142.23 130.26 21.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.413 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 51.5 tp60 -147.39 124.29 5.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.413 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.3 Cg_endo -75.01 121.94 6.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.09 -25.06 63.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.23 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.53 35.05 1.34 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 75' ' ' HIS . 26.4 m-85 -139.84 -173.53 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.5 m -154.1 170.83 20.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -147.12 152.42 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.472 ' CG2' HD12 ' A' ' 74' ' ' LEU . 1.3 t -155.5 148.62 24.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD13 ' N ' ' A' ' 61' ' ' VAL . 3.1 tm? -78.64 139.57 38.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.44 ' N ' HD13 ' A' ' 60' ' ' LEU . 3.8 p -120.61 149.03 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -90.62 -66.65 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 71.63 159.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.32 -18.06 47.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -90.19 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.31 -174.26 4.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.03 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -137.46 -46.07 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m -155.49 24.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 2.8 mttt -112.61 23.59 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.9 p -154.07 156.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -148.77 175.33 11.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 110.96 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -130.09 147.54 51.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.2 tp -97.65 100.03 11.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -83.61 150.78 25.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.56 ' CE1' ' HG3' ' A' ' 76' ' ' LYS . 8.0 t-80 -137.24 94.86 2.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 83.69 -2.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 130.2 -26.21 4.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.7 mtm -90.5 148.0 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.5 t -74.85 128.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.417 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 42.3 t80 -99.43 -38.94 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.417 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 5.5 m-85 -166.9 157.75 12.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 83' ' ' PHE . 44.6 t -98.33 157.53 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 54.3 m-85 -152.49 127.96 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -111.18 147.33 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -116.72 155.34 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -45.92 -66.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.16 174.45 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -62.61 -46.05 90.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.411 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 1.2 m-70 -50.26 -47.73 55.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.91 -49.41 68.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.45 ' CG2' HD12 ' A' ' 95' ' ' ILE . 97.8 m -47.52 -61.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -39.2 -52.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.411 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -57.06 -55.46 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.526 ' CH2' HD13 ' A' ' 14' ' ' LEU . 75.9 m95 -54.53 -49.69 69.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.45 HD12 ' CG2' ' A' ' 91' ' ' THR . 97.3 mt -51.57 -69.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -50.35 -35.71 29.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.5 83.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 94' ' ' TRP . 15.8 m-85 -83.72 -30.63 26.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -69.24 -49.74 53.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.446 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.2 OUTLIER -68.66 -28.75 67.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.22 -62.49 5.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 49.3 p -53.13 -45.48 68.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.773 . . . . 0.0 110.412 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 5.0 m -80.8 -161.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.4 m -169.05 97.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -105.9 160.2 14.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 85.82 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.0 p -44.1 121.51 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.8 p -121.02 159.45 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 p -111.73 -47.91 3.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 m -151.44 -61.97 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.45 177.59 15.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.55 114.2 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.99 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 p -74.02 158.05 35.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.79 -104.47 2.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -140.09 162.04 36.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.1 m -53.08 -63.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.554 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -137.89 166.23 24.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -177.23 162.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 130.64 159.61 9.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -69.92 124.7 24.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.519 HD11 ' CE2' ' A' ' 94' ' ' TRP . 3.8 mt -126.96 143.69 51.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -83.37 112.39 19.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 52.3 ttp180 -100.1 108.52 20.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -99.51 -177.42 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.041 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 3.2 mttt -129.04 20.49 5.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.82 -136.16 4.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.138 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.08 -65.91 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.756 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -1.09 23.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 18' ' ' LYS . 12.7 mmtt -69.95 156.63 91.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.442 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -75.01 142.4 27.76 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.787 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.596 ' CH2' HG11 ' A' ' 82' ' ' VAL . 81.7 m95 -87.57 142.37 27.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 23' ' ' PRO . 3.9 mtmt -123.82 101.64 7.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -71.28 98.74 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.73 170.64 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.497 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.1 t-105 -103.94 134.42 47.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 107.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -134.6 149.15 50.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -143.38 123.07 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 92.2 mt -84.91 98.07 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -120.13 133.34 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 60.63 19.8 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 mptt 77.79 14.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 83.1 t -108.93 132.63 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -82.99 93.33 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.507 ' CD2' ' HB3' ' A' ' 32' ' ' LYS . 54.3 m-85 -80.32 147.52 31.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 m -103.07 155.28 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.507 ' CZ ' ' HB1' ' A' ' 47' ' ' ALA . 67.3 m-85 -155.43 179.17 9.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.99 -40.78 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.86 -175.29 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 t -75.23 -48.82 21.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.945 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -117.78 58.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.52 165.23 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -82.08 -25.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.55 149.34 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.507 ' HB1' ' CZ ' ' A' ' 39' ' ' TYR . . . -69.11 134.62 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.08 -41.15 97.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -148.73 166.87 27.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.18 124.94 15.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -143.65 127.14 9.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.494 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 157.47 42.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.7 mt -100.46 25.23 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.241 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 tt -84.91 123.23 30.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.74 -16.88 43.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.494 ' CE2' ' O ' ' A' ' 52' ' ' PRO . 53.0 m-85 -74.35 177.02 6.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -149.02 167.58 25.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.74 152.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.412 ' CG2' HD12 ' A' ' 74' ' ' LEU . 5.1 t -160.67 147.95 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 ' CD1' ' A' ' 95' ' ' ILE . 1.4 tm? -80.91 142.76 33.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.422 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 2.0 p -123.92 142.55 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -40.79 86.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 t70 55.22 168.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -17.26 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -46.48 8.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.92 164.43 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -126.22 118.54 25.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.1 t 46.83 31.28 1.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -132.39 12.69 4.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.23 147.1 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.548 ' CZ ' ' HB3' ' A' ' 83' ' ' PHE . 2.4 p90 -138.07 177.87 7.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -129.78 145.74 51.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 48.1 tp -95.86 99.09 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -84.22 148.04 26.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 20.7 t-80 -137.23 95.12 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.572 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 87.94 -33.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 163.22 -27.26 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.31 141.94 28.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.78 129.17 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' A' ' 81' ' ' TYR . 19.2 t80 -93.07 -41.78 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 11.5 m-85 -166.43 157.95 13.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.596 HG11 ' CH2' ' A' ' 24' ' ' TRP . 88.5 t -99.91 132.58 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.548 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 69.2 m-85 -126.07 131.87 52.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -117.08 138.64 51.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -105.77 150.91 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -74.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -94.78 178.48 5.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 89' ' ' HIS . . . -72.36 -61.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.451 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 8.3 m170 -39.52 -43.29 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -56.55 19.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.45 HG23 ' CD1' ' A' ' 95' ' ' ILE . 1.3 m -42.43 -52.86 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.354 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -56.92 -58.15 9.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.451 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -46.44 -47.07 19.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.237 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.554 ' CD2' ' SD ' ' A' ' 10' ' ' MET . 74.9 m95 -60.67 -53.76 53.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 108.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.45 ' CD1' HG23 ' A' ' 91' ' ' THR . 8.8 mt -51.36 -58.3 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -55.01 -40.67 70.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.14 -34.19 77.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -81.49 -30.01 33.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -73.16 -39.76 65.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.49 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 1.2 pt-20 -78.02 -13.17 59.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.11 -44.82 43.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.442 1.088 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 22.7 p -65.7 -24.43 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.368 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.49 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 28.7 m -104.92 -168.06 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.8 m -154.81 102.31 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.05 -175.9 0.53 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 148.58 35.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.61 95.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 t -170.39 129.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.052 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.4 124.06 37.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -147.84 159.08 44.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.76 78.55 0.62 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -44.79 158.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.23 120.64 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.33 76.25 0.9 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.123 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.54 178.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 m -44.77 -43.82 8.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.1 tpt -157.03 140.82 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -169.56 136.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.547 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 165.74 150.46 6.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 63.8 m-85 -65.1 129.03 38.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 76.4 mt -129.6 150.79 50.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -97.78 119.0 35.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -91.27 136.85 32.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -156.53 132.57 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -36.6 82.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.52 -163.09 10.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -85.87 -37.93 18.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 0.0 110.015 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -85.82 39.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -129.87 155.51 80.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.74 8.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 97.9 m95 -66.86 135.87 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 121.11 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.534 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 51.3 t-80 -71.71 120.42 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.616 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.64 168.9 18.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.547 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 70.2 t-105 -120.59 137.61 54.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 107.985 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CD1' HD12 ' A' ' 36' ' ' LEU . 97.5 m-85 -135.48 158.21 44.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -150.48 157.5 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -118.63 89.03 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 3.3 tttp -71.27 -84.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.438 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 36.2 t-20 -115.51 71.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttp 59.49 17.45 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 95.8 t -115.09 125.4 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' A' ' 29' ' ' PHE . 2.7 tm? -81.39 91.55 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 13.5 m-85 -79.91 132.29 36.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.4 m -90.18 160.64 16.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 65.0 m-85 -157.99 172.61 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.462 ' HB3' ' CD1' ' A' ' 48' ' ' LEU . . . -114.77 -11.06 12.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 176.84 172.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 t -82.5 5.84 19.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.972 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -109.03 -18.73 13.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.88 135.73 5.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 m -63.72 -30.15 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.82 -175.28 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.566 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -86.03 135.43 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 40' ' ' ALA . 81.3 mt -61.45 -47.69 84.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -135.07 158.92 43.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.556 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -140.06 132.8 29.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.405 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 39.3 tp60 -152.71 133.4 7.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.405 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.2 Cg_endo -75.06 129.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.27 -21.09 66.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.452 ' CD1' ' C ' ' A' ' 54' ' ' LEU . 0.8 OUTLIER -54.42 113.4 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 112.78 -34.07 5.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -75.24 -178.26 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.5 m -152.63 168.86 24.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG21 ' CG ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.25 152.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.474 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -161.26 129.85 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -63.14 141.72 58.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 p -123.33 147.05 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -67.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t70 68.26 179.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -110.5 -32.51 6.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -61.94 -66.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.5 158.27 41.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' C ' ' N ' ' A' ' 69' ' ' LYS . 19.4 mt-10 -119.2 145.05 46.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.5 m 43.59 27.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' GLU . 9.9 tttt -121.69 -41.75 2.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -103.53 145.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -131.24 177.82 7.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -125.91 148.24 49.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 43.4 tp -99.67 98.22 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.474 HD11 ' CG2' ' A' ' 59' ' ' THR . 0.8 OUTLIER -82.72 146.68 28.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 29.6 t-80 -136.51 98.76 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 14.9 mtmt 82.25 -1.97 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.451 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 127.47 -23.66 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 25.3 mtt -95.49 142.31 27.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.75 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.09 128.75 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 62.0 t80 -101.67 -33.12 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.624 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 4.5 m-85 -167.3 169.62 12.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -118.46 144.93 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.429 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 61.1 m-85 -136.48 127.06 26.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 85' ' ' ALA . 3.8 tttt -109.82 141.49 42.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . -111.25 143.05 42.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.34 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -94.51 174.69 6.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.78 -47.07 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -46.92 -50.53 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.607 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -51.8 28.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.958 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 92' ' ' GLN . 24.2 m -40.76 -68.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 91' ' ' THR . 22.6 mm-40 -38.52 -58.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -53.18 36.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -55.02 -53.31 57.4 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 94.9 mt -46.91 -63.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.8 -42.03 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.15 -49.78 68.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.366 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.483 ' CG ' HG21 ' A' ' 58' ' ' VAL . 7.1 m-85 -68.78 -49.64 56.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -53.97 -56.78 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.442 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 3.5 mt-10 -56.26 -36.64 68.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.0 -55.93 25.31 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.4 p -57.43 -42.31 82.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.442 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 21.4 m -86.44 -163.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.0 p -145.66 96.57 2.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -82.73 -152.22 10.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.36 3.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.3 p -141.27 141.48 33.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.6 m 55.41 80.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -132.63 149.1 52.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.43 115.99 29.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.42 162.74 19.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -162.22 117.53 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.749 . . . . 0.0 110.002 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.29 -57.27 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.34 -143.49 7.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 p -119.15 169.19 10.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.6 m -41.18 -41.41 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.543 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -166.82 167.86 14.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.9 p -179.57 126.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.539 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 167.69 178.47 39.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -88.63 138.32 31.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 110.953 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 78.5 mt -136.64 151.47 49.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.742 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 30.0 m-85 -94.54 112.79 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.46 120.31 32.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.52 ' OG ' ' CE3' ' A' ' 24' ' ' TRP . 2.2 m -127.09 155.76 42.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -98.76 15.29 25.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.6 -152.37 23.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.155 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -96.22 -55.73 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -81.79 47.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -130.46 155.71 80.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.63 10.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CE3' ' OG ' ' A' ' 17' ' ' SER . 95.4 m95 -70.84 154.71 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.98 112.79 11.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.742 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 0.8 OUTLIER -75.47 113.64 13.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.633 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.52 166.89 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.539 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 70.0 t-105 -104.58 140.31 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 107.984 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -137.92 151.89 48.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.4 t -147.53 125.19 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -93.91 110.01 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.52 137.74 44.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 57.54 24.64 10.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.95 25.22 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.9 t -117.78 133.57 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' CB ' HD23 ' A' ' 53' ' ' LEU . 3.0 tm? -90.0 93.4 9.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -79.22 151.48 31.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.431 ' O ' ' CD2' ' A' ' 39' ' ' TYR . 53.4 m -106.67 159.33 16.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.469 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 67.3 m-85 -160.97 169.24 22.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.468 ' HB2' ' CD1' ' A' ' 48' ' ' LEU . . . -111.01 -28.57 8.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.16 173.76 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 t -84.92 -2.59 58.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -9.15 28.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.34 168.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.03 -18.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.1 176.39 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.469 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -82.69 145.82 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 40' ' ' ALA . 96.0 mt -70.98 -33.01 70.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -151.75 167.39 28.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.95 123.78 15.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -145.99 126.52 7.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 153.5 41.87 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD23 ' CB ' ' A' ' 36' ' ' LEU . 12.2 mt -96.41 38.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.61 117.93 30.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.01 -11.66 70.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 75' ' ' HIS . 39.5 m-85 -81.63 178.1 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 110.973 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -153.94 169.14 24.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.435 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -144.83 151.19 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.419 ' CG2' HD13 ' A' ' 74' ' ' LEU . 5.8 t -162.24 140.36 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.57 141.02 48.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -124.44 127.77 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.56 -8.01 14.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.96 6.87 33.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.453 ' OE1' ' CG2' ' A' ' 70' ' ' VAL . 3.6 tt0 -89.06 -61.72 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.22 -57.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.72 124.21 37.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -40.79 -92.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.69 91.53 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -164.29 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' CG2' ' OE1' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -107.07 129.85 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 3.1 p90 -119.44 178.02 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -125.35 145.6 49.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.6 tp -97.04 98.47 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.419 HD13 ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER -81.31 146.21 30.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . 18.3 t-80 -136.81 96.96 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER 81.29 6.67 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.51 -17.56 13.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.8 mtt -100.09 137.14 38.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.87 125.07 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 67.6 t80 -94.87 -37.69 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 3.9 m-85 -164.94 167.78 18.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 59.4 t -115.39 127.83 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.431 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 59.7 m-85 -120.06 130.52 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -115.25 132.58 56.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.27 157.86 15.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -58.8 -54.6 45.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.45 -172.29 2.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.37 -49.04 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -49.37 -32.97 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.9 m -69.45 -48.38 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 92' ' ' GLN . 96.4 m -40.32 -63.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' THR . 30.6 mm-40 -38.85 -48.23 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -58.24 -64.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.543 ' CD2' ' SD ' ' A' ' 10' ' ' MET . 69.1 m95 -47.76 -49.71 27.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 108.051 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 96.9 mt -49.44 -66.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.54 -40.9 63.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.3 -39.06 72.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.435 ' CB ' HG21 ' A' ' 58' ' ' VAL . 8.7 m-85 -81.09 -32.24 34.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -71.81 -57.62 4.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.461 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.5 OUTLIER -56.08 -22.8 29.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.98 -53.39 10.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 43.5 p -61.7 -41.64 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.461 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 19.6 m -83.6 -162.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.9 t -129.44 16.47 5.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.82 159.86 22.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 79.53 2.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.91 125.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.6 t -88.55 101.41 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.087 . . . . 0.0 111.005 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.23 151.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.977 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 t -111.41 166.3 11.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.43 110.97 0.74 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -128.42 142.54 51.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.73 -57.11 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.61 -96.87 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -49.29 151.5 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.997 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -65.56 -62.6 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 tpt -146.32 138.16 24.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.4 p -160.35 170.02 21.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.571 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 138.08 176.75 14.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.85 140.31 29.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.52 HD11 ' CD2' ' A' ' 94' ' ' TRP . 9.2 mt -140.48 168.95 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -118.57 123.54 45.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -101.19 145.93 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.72 166.62 32.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.051 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -31.44 13.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.81 162.05 26.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 4.6 m -47.92 164.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 0.737 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 20' ' ' SER . 15.4 mmtt 80.2 -44.54 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -69.7 156.42 91.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.25 22.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -71.43 137.99 48.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 107.998 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -93.04 147.5 22.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -104.1 114.8 29.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.613 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -154.09 173.07 16.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 3.6 t-105 -128.62 152.13 48.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' N ' ' CD1' ' A' ' 28' ' ' TRP . 57.5 m-85 -141.71 170.14 16.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 29.0 t -154.33 157.13 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.6 mt -118.14 89.04 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 8.6 ttpt -80.52 -90.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.438 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 41.5 t-20 -105.7 71.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 52.06 22.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.8 t -116.07 127.74 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -84.35 93.89 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 40.0 m-85 -86.62 134.78 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 m -85.15 155.63 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.522 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 65.8 m-85 -157.23 174.47 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -117.38 -38.21 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.84 173.32 7.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.516 ' HA ' ' CD2' ' A' ' 28' ' ' TRP . 2.5 t -61.17 -56.65 18.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -111.95 58.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -58.61 153.4 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 m -66.82 -29.56 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.72 157.39 26.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -76.48 144.03 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.0 mt -74.23 -39.55 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -149.61 169.59 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -140.73 121.56 14.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -141.07 122.86 9.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 154.37 42.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 110.959 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 98' ' ' PHE . 2.4 mt -98.09 34.37 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.74 110.3 18.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.17 -37.05 3.63 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' C ' ' OG1' ' A' ' 57' ' ' THR . 45.2 m-85 -50.94 178.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 0.745 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.7 m -154.89 169.32 24.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.418 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.54 153.02 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.474 ' CG2' HD12 ' A' ' 74' ' ' LEU . 3.0 t -158.52 130.52 6.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 70' ' ' VAL . 2.7 tm? -68.36 141.07 55.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -117.26 141.35 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -55.27 -78.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 65.01 157.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' C ' ' CD ' ' A' ' 64' ' ' GLU . 4.4 tp10 -103.9 -62.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -48.33 -53.55 17.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.442 ' CB ' ' CG1' ' A' ' 70' ' ' VAL . 58.0 m -72.68 -67.67 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.65 98.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.245 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.6 m 39.3 36.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.537 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 1.9 ttpm? -134.36 10.6 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' O ' ' CD2' ' A' ' 60' ' ' LEU . 3.1 p -139.42 152.81 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 83' ' ' PHE . 1.1 p90 -140.74 169.55 17.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -123.23 147.51 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.1 tp -97.81 100.65 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 59' ' ' THR . 0.9 OUTLIER -83.46 149.38 26.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 30.7 t-80 -137.18 94.66 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 86.96 -19.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.444 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 147.16 -21.92 1.57 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.82 143.69 26.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.8 t -67.07 137.62 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -104.94 -42.79 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -161.29 160.56 29.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.1 t -104.0 113.79 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.37 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 38.0 m-85 -104.32 126.83 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 85' ' ' ALA . 2.3 ttmt -118.23 139.56 51.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . -104.38 157.01 17.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.5 -63.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -104.02 158.58 16.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.93 41.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -41.54 -51.77 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.8 m -48.89 -52.0 26.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 95' ' ' ILE . 23.8 m -39.03 -69.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -41.53 -58.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -44.53 -59.94 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.52 ' CD2' HD11 ' A' ' 14' ' ' LEU . 73.5 m95 -51.56 -58.03 7.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.453 ' CD1' HG22 ' A' ' 91' ' ' THR . 22.0 mt -41.47 -67.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.15 -42.75 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -54.73 -43.44 72.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.313 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.418 ' CB ' HG21 ' A' ' 58' ' ' VAL . 5.9 m-85 -75.94 -34.26 59.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -67.03 -58.5 4.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.424 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 17.8 mt-10 -52.81 -23.94 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.99 -51.24 7.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.8 p -62.65 -31.29 72.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.371 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.424 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 34.1 m -96.94 -166.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.5 m -150.21 97.51 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -66.48 157.17 50.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 55.97 4.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.6 m -109.27 116.29 31.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.0 t -120.64 -57.42 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -77.93 143.99 37.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 t -162.56 133.68 5.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.78 122.72 4.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.54 115.1 20.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.964 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -105.08 -58.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.9 -144.17 15.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.3 m -73.49 162.63 29.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.006 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.0 m -41.9 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 tpt -139.13 148.71 43.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -171.11 165.76 7.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 138.16 147.89 5.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.519 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 21.2 m-85 -63.77 139.44 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.586 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 39.7 mt -141.4 -176.68 4.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -131.39 118.85 20.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 4.0 ttm180 -92.52 118.41 30.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.584 ' OG ' ' CE3' ' A' ' 24' ' ' TRP . 3.1 m -124.9 129.23 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.953 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -8.88 55.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.7 -148.39 5.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.22 -53.35 2.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 0.742 . . . . 0.0 109.946 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -72.57 -5.37 36.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -80.19 156.15 74.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.52 12.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.584 ' CE3' ' OG ' ' A' ' 17' ' ' SER . 96.3 m95 -69.13 157.97 35.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -133.25 120.03 20.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.519 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 16.3 t-80 -72.0 117.47 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.579 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -144.5 170.33 16.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.1 t-105 -118.36 141.01 48.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -136.62 158.42 44.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 31' ' ' ILE . 37.1 t -152.26 161.84 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.439 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 44.9 mt -124.87 91.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 1.5 ttpt -80.62 -89.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.497 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 15.9 t30 -102.18 78.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 mttt 42.73 31.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 33' ' ' ASN . 88.4 t -130.19 127.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.05 96.71 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 25.4 m-85 -85.28 127.19 34.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 39' ' ' TYR . 2.4 m -83.66 157.46 22.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.419 ' N ' HG22 ' A' ' 38' ' ' THR . 69.5 m-85 -154.37 -172.76 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -129.08 -44.93 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.25 -175.61 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.2 t -71.93 -52.1 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -116.68 60.02 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -64.96 146.38 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -54.83 -33.33 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -156.67 -179.76 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -94.78 145.34 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.94 -41.42 71.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -146.21 165.71 28.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.453 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -141.68 134.19 28.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -155.12 132.86 6.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.09 42.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.2 mt -100.28 16.96 22.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 6.8 tt -76.7 124.04 27.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.43 -30.68 5.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -63.73 176.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -150.13 171.07 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.23 153.47 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.465 ' CG2' HD13 ' A' ' 74' ' ' LEU . 1.3 t -160.87 140.51 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 68' ' ' SER . 1.5 tm? -72.84 140.49 47.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.46 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 7.3 p -124.63 140.2 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -101.71 12.31 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.442 ' O ' ' CB ' ' A' ' 64' ' ' GLU . 11.0 p-10 -38.2 131.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.4 OUTLIER 82.65 -53.69 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 3.3 m-20 155.42 -22.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.462 ' CB ' HG12 ' A' ' 70' ' ' VAL . 49.4 m -37.45 130.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.87 109.68 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.472 ' HA ' ' CG ' ' A' ' 60' ' ' LEU . 6.4 m 39.2 39.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -112.29 -14.06 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.462 HG12 ' CB ' ' A' ' 66' ' ' SER . 1.4 p -142.75 146.01 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.52 ' CD1' HG23 ' A' ' 91' ' ' THR . 2.4 p90 -136.63 178.1 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.3 153.31 47.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.2 tp -102.46 101.73 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 59' ' ' THR . 0.7 OUTLIER -84.17 148.84 26.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 14.6 t-80 -137.22 96.28 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER 82.01 0.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.423 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 125.19 -22.33 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.4 mtp -95.45 143.08 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.44 125.56 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.507 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 35.6 t80 -97.48 -34.86 10.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 8.8 m-85 -170.71 156.67 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 17' ' ' SER . 21.2 t -100.79 154.98 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 58.4 m-85 -150.7 126.4 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -112.89 148.55 34.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.31 145.29 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.79 -61.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.71 169.08 9.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.06 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -48.51 -35.21 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.574 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.5 m -67.69 -48.12 67.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.52 HG23 ' CD1' ' A' ' 71' ' ' PHE . 98.9 m -47.09 -58.98 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -39.77 -44.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.17 -66.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.586 ' CE2' ' CD1' ' A' ' 14' ' ' LEU . 35.7 m95 -46.53 -45.69 18.76 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.462 ' CD1' HG22 ' A' ' 91' ' ' THR . 93.5 mt -52.01 -71.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -47.13 -44.13 21.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.54 -37.24 70.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 95' ' ' ILE . 11.7 m-85 -83.18 -30.16 28.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -73.49 -57.8 3.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.433 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -50.98 -34.87 30.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.1 -59.22 8.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.2 p -53.56 -42.4 67.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' A' ' 100' ' ' GLU . 20.1 m -84.29 -162.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.4 m -155.45 97.83 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.9 -173.52 0.33 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.17 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.474 1.776 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.5 p -135.54 -53.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 t -161.68 97.13 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.79 134.05 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 109.972 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -95.7 101.83 13.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.62 -125.27 8.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t 73.29 -59.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.05 168.03 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.74 -76.15 0.57 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 m -52.73 164.74 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 0.778 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.0 m -75.28 -60.98 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 tpt -144.79 121.8 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -151.38 145.85 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.04 135.66 2.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.775 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 13.3 m-85 -49.81 138.86 14.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.525 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 69.6 mt -139.85 160.31 40.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -107.32 112.86 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -92.73 138.52 31.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.46 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 16.3 t -148.81 167.26 26.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.042 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -112.24 29.97 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.63 176.85 22.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -74.48 -47.74 31.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 0.803 . . . . 0.0 110.039 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -83.08 45.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -130.81 155.77 80.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.54 15.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 97.1 m95 -77.3 156.92 31.01 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -137.96 113.72 9.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 36.1 t-80 -68.65 101.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.55 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -123.98 167.93 13.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -109.75 141.73 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.52 155.55 46.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.3 t -148.46 153.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.3 mt -115.59 115.97 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -143.16 138.46 29.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.0 t30 54.91 30.68 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mttt 65.25 23.51 12.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 46.4 t -116.7 142.76 29.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -97.89 102.33 14.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -89.89 135.2 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 m -92.28 152.4 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.562 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 58.8 m-85 -152.58 -176.65 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.06 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -118.61 -40.14 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' O ' ' OD2' ' A' ' 44' ' ' ASP . . . -148.76 -162.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.8 t -106.05 -1.84 23.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 44' ' ' ASP . 1.8 tp10 -101.3 -15.6 17.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -40.96 161.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -15.14 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.11 175.04 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.562 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -87.45 140.4 29.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.7 mt -67.31 -41.36 85.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -148.83 167.85 24.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.03 132.79 30.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -146.44 119.19 5.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 149.92 37.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 mt -97.59 37.91 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.8 106.56 18.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.63 -19.93 52.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.412 ' C ' ' OG1' ' A' ' 57' ' ' THR . 32.9 m-85 -64.48 -177.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.412 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 7.3 m -156.56 172.7 18.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.46 ' CG2' ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -146.97 151.07 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.462 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.5 t -157.84 142.7 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 61' ' ' VAL . 1.6 tm? -73.62 141.9 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.464 ' N ' ' CD1' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -124.04 137.72 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -103.16 117.31 34.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -106.77 -73.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 11.1 pt-20 177.05 117.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 4.5 t-20 86.13 -44.72 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -42.54 -72.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.04 76.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.457 ' HA ' ' CD2' ' A' ' 60' ' ' LEU . 68.5 m 62.48 35.21 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.027 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -109.44 -19.36 13.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -127.39 144.64 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.4 p90 -135.84 177.72 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -129.65 155.16 46.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.7 tp -105.64 98.23 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -80.63 146.92 30.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 16.1 t-80 -137.09 95.73 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 82.37 3.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 122.44 -25.1 6.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 143.97 25.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.52 133.48 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -101.59 -37.78 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -163.9 165.09 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.8 t -114.96 117.08 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 55.8 m-85 -110.59 123.14 49.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -106.67 153.98 21.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -126.18 156.21 40.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.92 -48.99 19.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -101.88 163.4 12.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 91' ' ' THR . . . -83.63 -58.0 2.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -42.16 -39.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.615 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.1 m -60.69 -48.11 83.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' ALA . 16.0 m -43.64 -56.11 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -49.25 -40.4 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 5.0 mtt180 -63.91 -50.97 66.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.525 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 23.5 m95 -60.51 -44.58 95.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.011 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.6 mt -56.8 -66.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.89 -32.95 55.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -68.25 -37.71 81.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.46 ' HB3' ' CG2' ' A' ' 58' ' ' VAL . 3.7 m-85 -82.21 -26.33 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -78.44 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.519 ' HA ' ' CG1' ' A' ' 103' ' ' VAL . 1.5 mt-10 -46.99 -28.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.82 -61.86 4.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.3 p -57.16 -26.08 59.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 0.0 110.45 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.519 ' CG1' ' HA ' ' A' ' 100' ' ' GLU . 4.8 p -102.13 -177.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.6 t -133.02 18.42 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.99 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 54.24 -146.44 24.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 112.84 3.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.551 1.816 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.2 m -120.4 162.9 18.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.2 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.502 0.192 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.411 ' CB ' HG22 ' A' ' 30' ' ' VAL . 89.9 p -159.5 122.66 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.495 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 177.81 149.94 8.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.616 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 34.9 m-85 -60.66 135.7 57.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.657 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 2.1 mt -137.7 178.24 7.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -119.52 116.0 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -91.5 143.66 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -152.81 157.74 41.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.63 19.67 15.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.73 -170.88 22.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.5 m -79.9 150.65 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.29 -0.55 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -96.38 156.05 37.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.37 20.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 98.7 m95 -77.01 161.58 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.007 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -135.79 114.35 11.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.616 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 19.2 t-160 -79.76 108.85 13.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.57 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mt -141.43 165.7 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.495 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.6 t-105 -102.19 141.15 35.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.014 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -133.08 156.39 47.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 11' ' ' SER . 29.4 t -150.18 152.97 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.9 mt -114.24 110.9 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.493 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 14.5 ttpp -138.19 140.56 39.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 51.9 25.38 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 68.39 30.33 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' C ' ' A' ' 51' ' ' GLN . 96.2 t -122.36 137.47 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.767 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.0 tm? -92.09 97.92 11.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.521 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 48.9 m-85 -85.33 150.48 24.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.1 m -106.93 145.62 32.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 55.5 m-85 -145.12 -172.55 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.894 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -132.31 -46.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.13 147.32 7.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -69.05 140.1 54.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.894 HD11 ' HB2' ' A' ' 40' ' ' ALA . 48.3 mt -67.52 -40.34 85.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -150.29 166.6 29.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.521 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -142.03 128.17 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.478 ' C ' HG13 ' A' ' 35' ' ' VAL . 3.6 mm100 -140.62 122.32 9.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 146.03 32.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 36' ' ' LEU . 9.6 mt -92.75 36.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.23 103.97 16.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.29 -20.22 45.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -67.59 176.35 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -150.39 171.12 17.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.07 155.97 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -165.2 153.51 11.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.821 HD23 HD11 ' A' ' 95' ' ' ILE . 1.4 tm? -78.28 144.87 35.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.648 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.2 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.659 ' HA ' HD11 ' A' ' 60' ' ' LEU . 2.0 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -120.33 6.12 10.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 83' ' ' PHE . 2.2 p -136.17 137.09 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' HD1' HG23 ' A' ' 91' ' ' THR . 1.7 p90 -125.29 177.98 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -130.3 143.49 50.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.654 HD23 ' HD2' ' A' ' 80' ' ' PHE . 50.8 tp -95.46 101.66 13.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -84.14 147.97 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 34.3 t-80 -137.03 96.4 3.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 84.12 -6.65 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 132.93 -23.16 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.3 ptm -94.44 143.81 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.8 124.7 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.654 ' HD2' HD23 ' A' ' 73' ' ' LEU . 20.4 t80 -91.45 -41.04 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 18.4 m-85 -167.43 156.55 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.1 t -95.65 160.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 70' ' ' VAL . 58.3 m-85 -153.91 128.63 9.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -109.6 133.59 52.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.807 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -103.9 155.63 18.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.81 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -113.88 -176.51 2.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.08 83.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -49.77 51.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.553 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.4 m -57.56 -57.33 13.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.807 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 60.2 m -39.26 -57.27 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -48.66 -46.78 40.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 97' ' ' ALA . 5.2 mtm180 -56.58 -57.67 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.657 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 64.2 m95 -54.92 -45.84 74.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.821 HD11 HD23 ' A' ' 60' ' ' LEU . 32.4 mt -53.66 -70.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -51.96 -34.58 42.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' ARG . . . -63.19 -38.79 92.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.63 ' O ' HG23 ' A' ' 102' ' ' THR . 10.5 m-85 -82.56 -26.37 32.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.2 mm-40 -76.22 -46.31 28.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -73.52 -4.05 31.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.81 -44.16 6.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 98' ' ' PHE . 12.6 p -72.95 -33.78 66.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 99' ' ' GLN . 24.6 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.487 0.184 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.428 ' CB ' HG22 ' A' ' 30' ' ' VAL . 22.6 p -172.66 133.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.485 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 162.08 147.74 5.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.491 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 41.5 m-85 -58.97 131.12 50.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 0.81 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.819 HD11 ' CE2' ' A' ' 94' ' ' TRP . 22.8 mt -133.22 148.5 52.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -95.65 107.42 19.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 1.2 ttm180 -90.88 126.29 36.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.562 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -129.04 177.24 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.975 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.67 35.78 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' OG ' ' A' ' 17' ' ' SER . . . 140.99 -162.7 26.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -91.27 -57.92 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.8 -7.11 36.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -80.19 155.88 74.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.82 41.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CE3' ' HB3' ' A' ' 17' ' ' SER . 96.1 m95 -98.09 157.93 15.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 108.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -134.08 120.64 20.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.491 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 50.0 t-80 -75.77 115.8 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.649 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mt -145.85 169.89 17.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 33.7 t-105 -115.51 143.26 45.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.481 ' HB3' HD21 ' A' ' 36' ' ' LEU . 79.8 m-85 -139.25 160.71 39.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' ILE . 13.9 t -152.01 163.46 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.476 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 42.8 mt -125.71 89.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -76.26 -102.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.771 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.1 t30 -89.14 66.71 7.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 56.33 19.49 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 33' ' ' ASN . 91.0 t -113.42 132.35 62.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 29' ' ' PHE . 1.8 tm? -86.88 97.67 10.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 20.8 m-85 -87.02 135.67 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.569 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 7.2 m -90.78 140.86 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 46.1 m-85 -140.43 -171.49 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.751 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -135.18 -46.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.37 163.82 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 38' ' ' THR . . . -85.26 147.89 26.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 40' ' ' ALA . 32.1 mt -71.04 -41.48 70.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -150.24 171.99 16.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -140.8 142.98 34.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.438 ' C ' HG13 ' A' ' 35' ' ' VAL . 34.8 tp60 -158.37 125.84 2.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 131.57 14.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 98' ' ' PHE . 5.5 mt -68.19 -32.99 73.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.537 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -46.5 111.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' HD13 ' A' ' 54' ' ' LEU . . . 116.03 -38.9 2.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -71.39 -173.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.5 m -152.84 167.19 29.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.609 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.55 156.89 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 t -164.3 151.95 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.361 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.784 HD23 HD11 ' A' ' 95' ' ' ILE . 2.7 tm? -76.69 142.03 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.503 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.3 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -123.44 17.27 9.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 83' ' ' PHE . 2.1 p -149.18 140.98 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -128.78 174.63 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -127.62 145.61 50.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 98' ' ' PHE . 48.0 tp -95.0 97.98 10.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -81.54 145.78 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -137.4 112.73 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp 68.61 8.65 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.33 2.56 35.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.19 132.27 55.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 0.752 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -54.67 134.4 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.454 ' HD2' HD23 ' A' ' 73' ' ' LEU . 78.6 t80 -112.31 -30.39 7.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CE2' ' NH1' ' A' ' 16' ' ' ARG . 2.4 m-85 -170.9 158.5 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.94 157.07 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 70.3 m-85 -151.73 122.52 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -102.68 145.43 29.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.579 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -106.39 158.04 17.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -51.56 37.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -117.08 -179.92 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.75 -57.02 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -47.13 -41.23 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 93' ' ' ARG . 22.9 m -56.3 -60.92 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.579 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -39.89 -50.94 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -54.64 -43.67 72.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 6.5 mtm180 -59.29 -48.01 83.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.819 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.3 m95 -63.42 -48.78 76.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 108.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.784 HD11 HD23 ' A' ' 60' ' ' LEU . 32.2 mt -50.57 -68.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.8 -40.45 60.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -57.94 -49.72 75.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CB ' HG21 ' A' ' 58' ' ' VAL . 3.4 m-85 -68.25 -45.94 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.57 ' O ' HG22 ' A' ' 103' ' ' VAL . 25.7 mm-40 -60.65 -59.28 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 16.9 mt-10 -55.55 -24.9 34.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.65 -54.48 7.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.1 p -56.13 -35.22 66.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.371 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 99' ' ' GLN . 34.8 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.489 0.185 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 p -178.4 148.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.49 161.57 9.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 49.6 m-85 -66.85 134.33 51.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.775 HD11 ' CE2' ' A' ' 94' ' ' TRP . 51.7 mt -136.08 152.62 51.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.455 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 27.8 m-85 -94.95 113.21 24.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -93.14 139.9 30.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.497 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -142.65 168.17 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -104.48 22.17 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.1 -157.99 20.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 m -87.55 149.9 24.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 0.806 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm 76.88 1.23 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -99.69 156.14 35.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 153.31 41.72 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.497 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.5 m95 -91.41 158.3 16.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HE2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -135.43 120.01 18.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.651 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 33.8 t-80 -79.4 108.62 13.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.559 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.51 HD11 ' HE2' ' A' ' 25' ' ' LYS . 5.0 mt -136.18 169.76 17.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -109.16 130.37 55.49 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.78 135.71 48.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.2 t -128.77 154.69 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.2 mt -116.03 88.96 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -117.33 140.85 49.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.4 t-20 51.61 41.33 28.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.62 21.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 33' ' ' ASN . 96.2 t -116.05 127.59 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.7 tm? -82.22 94.63 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.526 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 52.4 m-85 -80.52 152.09 28.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.5 m -106.56 139.55 40.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 56.0 m-85 -143.63 -176.92 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -130.23 -46.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -164.26 150.53 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -78.13 141.69 38.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 40' ' ' ALA . 45.2 mt -67.88 -39.5 83.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -152.65 167.78 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.526 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 1.4 p -142.23 119.69 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.687 ' C ' HG13 ' A' ' 35' ' ' VAL . 3.0 mm100 -134.71 132.12 20.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 130.13 13.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.767 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.754 ' O ' HG22 ' A' ' 102' ' ' THR . 14.8 mt -67.14 -20.99 65.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 55' ' ' GLY . 5.1 tt -59.84 127.17 30.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.522 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 101.43 -42.42 1.92 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.4 ' C ' ' OG1' ' A' ' 57' ' ' THR . 39.8 m-85 -64.51 -177.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 2.7 m -153.86 170.3 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.546 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -147.36 158.5 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -163.51 141.77 7.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.446 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 95' ' ' ILE . 3.3 tm? -71.35 139.26 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.524 HG11 ' HG3' ' A' ' 72' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HA ' ' OG1' ' A' ' 91' ' ' THR . 0.1 OUTLIER -113.13 18.03 18.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.44 ' O ' HD22 ' A' ' 60' ' ' LEU . 2.5 p -146.33 143.17 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -132.69 177.75 7.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.524 ' HG3' HG11 ' A' ' 61' ' ' VAL . 32.7 mt-30 -128.76 145.67 51.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.549 HD13 ' CE1' ' A' ' 98' ' ' PHE . 29.2 tp -93.47 92.96 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.726 HD23 ' C ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -78.77 153.27 30.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 14.7 t-80 -137.12 104.7 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 75.38 -55.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.76 35.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.726 ' C ' HD23 ' A' ' 74' ' ' LEU . 1.3 ptt? -156.78 146.17 20.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.737 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.98 139.37 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.426 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 41.8 t80 -115.56 -35.49 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.426 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 3.8 m-85 -167.79 157.39 10.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 83' ' ' PHE . 46.8 t -101.75 160.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.402 ' N ' HG12 ' A' ' 82' ' ' VAL . 61.8 m-85 -152.47 124.67 8.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.693 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -93.71 158.84 15.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.72 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -129.7 150.16 51.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.77 -66.68 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.31 -178.63 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -59.61 -59.16 5.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -40.53 -53.69 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.634 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 m -51.27 -59.44 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.726 HG22 HD11 ' A' ' 95' ' ' ILE . 10.5 m -39.31 -58.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -47.12 -43.39 20.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -60.77 -54.26 47.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.775 ' CE2' HD11 ' A' ' 14' ' ' LEU . 75.8 m95 -58.67 -52.85 63.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.726 HD11 HG22 ' A' ' 91' ' ' THR . 72.5 mt -45.4 -66.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -47.22 70.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 -38.46 37.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.549 ' CE1' HD13 ' A' ' 73' ' ' LEU . 4.4 m-85 -78.92 -36.1 42.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.675 ' O ' HG22 ' A' ' 103' ' ' VAL . 21.8 mm-40 -67.27 -55.49 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.406 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 1.5 mt-10 -60.03 -32.14 70.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.51 -57.95 14.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.754 HG22 ' O ' ' A' ' 53' ' ' LEU . 40.5 p -54.72 -41.72 70.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.6 m . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.551 0.215 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.41 ' CB ' HG22 ' A' ' 30' ' ' VAL . 91.1 p -171.84 145.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.551 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 159.47 153.33 6.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.589 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 56.1 m-85 -61.3 128.14 34.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.795 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 7.9 mt -130.38 153.83 48.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -96.59 110.1 22.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -90.81 135.3 33.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -142.79 157.24 44.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.83 18.35 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.99 -165.72 23.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 m -79.4 170.97 15.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.039 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm 52.06 24.11 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -120.58 156.15 56.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.95 22.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.5 m95 -79.86 136.27 36.65 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -108.53 115.11 29.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.589 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 6.7 t-80 -79.44 106.6 11.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -137.62 167.21 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.551 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 55.2 t-105 -105.39 142.91 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.523 ' CD1' HD11 ' A' ' 36' ' ' LEU . 99.3 m-85 -138.39 149.27 45.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 11' ' ' SER . 8.8 t -139.24 155.34 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -112.94 93.65 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 37' ' ' TYR . 15.8 ttpt -122.33 132.04 54.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.745 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.4 t30 54.22 38.6 29.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.21 25.14 10.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 33' ' ' ASN . 59.5 t -116.59 130.98 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.0 tm? -89.0 93.53 9.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 46.3 m-85 -79.22 149.95 31.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.2 m -100.4 142.47 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 55.2 m-85 -146.9 177.43 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -127.34 -45.13 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.84 176.63 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -90.16 145.53 24.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' A' ' 40' ' ' ALA . 39.1 mt -74.71 -39.57 61.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -151.07 173.47 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.7 131.8 26.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -143.8 115.84 5.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.0 146.69 32.96 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mt -93.08 39.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.13 108.09 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.42 -26.65 14.63 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.562 1.164 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.409 ' C ' ' OG1' ' A' ' 57' ' ' THR . 44.7 m-85 -58.08 178.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.409 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 3.7 m -154.86 169.85 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -141.93 159.67 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 1.3 t -171.45 159.91 5.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.884 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -77.86 143.1 38.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.884 ' N ' HD13 ' A' ' 60' ' ' LEU . 5.8 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.421 ' O ' HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 10.2 mttt -103.81 4.83 35.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 83' ' ' PHE . 7.0 p -127.48 140.54 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -129.64 177.55 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.31 143.96 50.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.546 HD23 ' HD2' ' A' ' 80' ' ' PHE . 64.3 tp -93.87 99.0 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -82.81 147.16 28.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.444 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 59.6 t60 -137.13 97.62 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.625 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 1.4 mtmp? 83.58 -2.95 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.471 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 128.55 -23.08 5.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.29 148.22 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.6 t -73.8 127.67 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.546 ' HD2' HD23 ' A' ' 73' ' ' LEU . 35.5 t80 -98.02 -38.28 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 6.1 m-85 -164.21 158.85 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.0 t -100.53 159.93 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 70' ' ' VAL . 50.5 m-85 -152.62 128.21 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -113.03 131.83 55.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.803 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -101.95 154.88 18.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -74.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -99.12 -179.26 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -78.62 -53.45 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -37.82 6.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -64.29 -54.07 39.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.803 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 16.6 m -41.33 -51.6 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -54.43 -46.01 73.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 6.5 mtm180 -56.5 -43.66 79.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.795 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 27.9 m95 -70.04 -49.62 49.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.011 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.425 HD11 HD23 ' A' ' 60' ' ' LEU . 31.1 mt -50.76 -68.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -50.62 -41.63 55.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -56.03 -42.68 76.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.477 ' CB ' HG21 ' A' ' 58' ' ' VAL . 16.8 m-85 -77.82 -39.45 43.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.579 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.0 mm-40 -62.39 -48.07 81.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.491 ' HA ' HG22 ' A' ' 103' ' ' VAL . 2.6 mt-10 -69.08 -9.56 53.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.29 -41.71 7.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 98' ' ' PHE . 60.1 p -74.27 -33.0 63.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 0.809 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.2 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.557 ' HB2' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.488 0.185 . . . . 0.0 111.001 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 p -172.46 125.4 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.59 149.98 7.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -59.47 127.99 34.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.984 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 2.4 mt -138.25 139.99 39.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 23.8 m-85 -83.12 114.83 21.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 82' ' ' VAL . 1.6 ttp180 -102.16 144.37 30.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 t -141.12 171.39 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.041 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 16.02 26.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.82 -159.49 23.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 m -85.83 151.12 24.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 80.25 -3.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -96.88 156.13 36.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 152.18 40.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -91.31 141.76 28.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 108.029 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -139.33 108.49 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -72.46 143.59 48.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.659 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -150.02 168.12 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -96.6 126.18 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.443 ' HB3' HD21 ' A' ' 36' ' ' LEU . 83.2 m-85 -126.26 145.29 50.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -141.88 121.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.557 HD12 ' HB2' ' A' ' 10' ' ' MET . 95.7 mt -89.11 89.91 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.82 96.72 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.11 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -143.81 17.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 86.9 t -116.15 134.09 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.835 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.8 tm? -99.91 96.51 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 43.4 m-85 -86.55 140.96 29.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.3 m -95.02 150.33 20.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 38.7 m-85 -147.86 -170.49 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.661 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -126.97 -43.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -167.52 145.04 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -71.17 141.41 50.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 40' ' ' ALA . 72.0 mt -70.48 -39.13 74.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -153.91 169.32 23.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -142.36 127.46 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -144.71 124.65 7.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.499 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.03 148.63 35.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.835 HD21 ' HB2' ' A' ' 36' ' ' LEU . 1.8 mt -92.98 30.25 1.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -87.67 113.83 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.571 ' N ' HD22 ' A' ' 54' ' ' LEU . . . 95.67 -34.5 4.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 52' ' ' PRO . 51.5 m-85 -52.59 179.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -154.06 171.56 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.553 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -144.62 150.63 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -157.96 156.05 30.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.899 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.1 tm? -87.22 143.49 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.899 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.655 ' HA ' HD11 ' A' ' 60' ' ' LEU . 8.2 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HG2' ' HB2' ' A' ' 88' ' ' ALA . 11.0 mttt -124.31 25.48 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG13 HG13 ' A' ' 61' ' ' VAL . 6.4 p -149.82 140.14 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.1 p90 -135.22 177.97 7.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -133.57 146.24 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.635 HD23 ' HD2' ' A' ' 80' ' ' PHE . 49.2 tp -93.75 98.96 11.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.36 147.59 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -137.52 109.09 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt 67.83 9.27 7.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.53 -18.31 20.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.83 133.99 42.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.19 138.21 19.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.635 ' HD2' HD23 ' A' ' 73' ' ' LEU . 19.2 t80 -108.8 -39.39 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-85 -170.62 166.98 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 13.7 t -103.05 161.49 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 75.5 m-85 -153.89 126.14 7.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 140.47 39.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -107.42 156.79 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.38 -60.03 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.45 -176.96 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . . . -69.45 -60.53 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -39.56 -40.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' THR . 3.7 m -61.3 -55.38 32.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.682 HG22 HD12 ' A' ' 95' ' ' ILE . 16.5 m -37.64 -54.04 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.33 -47.89 82.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 10.0 mtm180 -52.49 -49.04 65.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.984 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.7 m95 -65.54 -50.51 64.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.033 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.682 HD12 HG22 ' A' ' 91' ' ' THR . 26.1 mt -50.94 -66.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.81 -38.7 61.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -62.09 -31.0 71.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.553 ' CB ' HG21 ' A' ' 58' ' ' VAL . 6.3 m-85 -85.28 -33.16 22.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.673 ' O ' HG22 ' A' ' 103' ' ' VAL . 21.2 mm-40 -69.0 -55.54 10.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -44.38 -39.71 4.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.1 -65.89 3.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.3 p -50.31 -44.23 54.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 99' ' ' GLN . 17.5 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.496 0.189 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.2 p -161.08 160.87 30.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.543 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 141.47 167.13 11.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.16 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.634 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 23.6 m-85 -75.46 130.81 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.726 HD11 ' CE2' ' A' ' 94' ' ' TRP . 26.1 mt -132.29 151.56 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -97.89 114.98 27.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -99.88 112.53 24.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 2.1 t -107.23 167.46 9.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 30.56 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.532 ' O ' HG21 ' A' ' 82' ' ' VAL . . . 156.14 -137.85 5.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB2' ' CE ' ' A' ' 21' ' ' LYS . 14.7 m -105.66 -71.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER -76.8 2.92 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -69.93 156.06 92.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 126.05 9.75 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 76.3 m95 -70.23 166.23 20.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -136.1 107.64 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.634 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 6.7 t-80 -66.12 110.39 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.642 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -137.09 167.98 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 73.3 t-105 -107.65 139.68 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.029 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.5 154.43 50.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -149.94 141.16 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.4 mt -104.37 97.75 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -123.35 136.29 54.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.542 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.7 t30 55.4 33.8 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.16 21.52 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 33' ' ' ASN . 63.4 t -115.18 131.1 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.671 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.0 tm? -87.99 91.8 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.495 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 52.9 m-85 -79.26 146.08 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 m -100.86 155.73 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 73.7 m-85 -157.43 -176.58 6.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.696 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -124.7 -45.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.98 154.2 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -78.54 137.81 38.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 40' ' ' ALA . 45.0 mt -66.35 -40.26 89.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -149.52 166.89 27.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.495 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -141.44 121.13 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.496 ' C ' HG13 ' A' ' 35' ' ' VAL . 10.8 tp60 -134.99 125.55 17.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.79 7.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.492 ' O ' HG22 ' A' ' 102' ' ' THR . 12.4 mt -55.61 -25.25 37.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 54' ' ' LEU . 1.1 tm? -56.74 115.29 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.553 ' N ' HD13 ' A' ' 54' ' ' LEU . . . 109.36 -34.81 5.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.474 ' CE2' ' ND1' ' A' ' 75' ' ' HIS . 48.4 m-85 -77.09 -179.68 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 58' ' ' VAL . 3.0 m -151.45 175.7 12.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -147.04 157.13 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.4 t -161.79 152.5 17.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.6 tm? -77.43 143.12 38.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.869 ' N ' HD13 ' A' ' 60' ' ' LEU . 1.8 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.227 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.648 ' HA ' HD11 ' A' ' 60' ' ' LEU . 7.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -123.63 25.21 8.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.657 HG13 HG13 ' A' ' 61' ' ' VAL . 4.1 p -152.53 148.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 8.6 p90 -138.55 173.18 11.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.12 145.95 49.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 98' ' ' PHE . 49.9 tp -95.38 97.73 10.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -79.98 146.31 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.576 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 82.9 t60 -137.19 94.94 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 82.2 13.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 110.96 -25.5 14.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.7 mtm -88.41 144.22 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.4 t -75.23 133.9 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -98.92 -47.54 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -159.11 173.98 15.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 19' ' ' GLY . 5.3 t -115.11 121.48 67.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 76.8 m-85 -113.57 122.91 48.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -103.2 141.04 36.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -106.26 150.5 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.0 -71.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -116.62 -175.71 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -53.86 51.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -45.13 -58.09 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 m -45.52 -55.92 5.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.909 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 28.6 m -44.56 -62.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -44.34 -57.83 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.72 -64.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.726 ' CE2' HD11 ' A' ' 14' ' ' LEU . 59.2 m95 -48.08 -52.96 18.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.644 HD11 HD23 ' A' ' 60' ' ' LEU . 56.1 mt -46.32 -59.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -57.38 -46.55 83.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.39 -34.73 64.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.672 ' O ' HG23 ' A' ' 102' ' ' THR . 2.8 m-85 -81.1 -28.29 35.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.6 mm-40 -78.54 -54.92 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 103' ' ' VAL . 47.7 mt-10 -58.93 -35.29 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.18 -48.07 74.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 98' ' ' PHE . 17.8 p -63.82 -40.42 96.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 99' ' ' GLN . 19.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.526 0.203 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 p -145.04 154.81 42.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.482 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 152.1 136.95 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.413 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 56.2 m-85 -51.23 134.29 27.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.681 HD11 ' CE2' ' A' ' 94' ' ' TRP . 78.8 mt -136.19 156.17 49.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.529 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 26.5 m-85 -98.83 114.55 27.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -92.34 138.19 31.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -144.51 160.17 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -114.26 41.63 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.33 -174.73 21.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -75.21 -56.5 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 0.797 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -79.87 50.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -130.67 155.85 80.66 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.77 41.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 96.6 m95 -93.41 131.61 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HB3' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -110.93 114.02 27.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 3.1 t-160 -79.46 106.96 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 25' ' ' LYS . 1.6 mt -137.79 169.47 17.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.482 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 56.3 t-105 -104.94 142.81 34.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 108.024 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.83 153.46 49.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 31' ' ' ILE . 46.6 t -142.48 167.89 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.525 ' N ' HG12 ' A' ' 30' ' ' VAL . 52.4 mt -130.2 89.3 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 3.9 ttmt -113.05 129.23 56.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 62.89 24.77 14.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.85 6.34 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 82.5 t -98.35 131.77 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.7 tm? -85.17 94.42 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 57.6 m-85 -81.3 142.53 33.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 48' ' ' LEU . 1.9 m -97.53 149.15 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 68.6 m-85 -151.26 177.21 10.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.857 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -125.12 -44.55 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -161.44 176.29 11.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.05 139.76 30.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 40' ' ' ALA . 46.1 mt -69.67 -41.97 74.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -147.54 169.27 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.16 135.39 30.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 45.9 tp60 -152.99 123.31 3.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.95 144.75 30.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.741 ' O ' HG22 ' A' ' 102' ' ' THR . 7.0 mt -91.36 40.82 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.47 ' C ' HD23 ' A' ' 54' ' ' LEU . 7.3 tt -96.67 124.1 40.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.44 -11.62 58.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 75' ' ' HIS . 27.8 m-85 -79.44 -179.95 7.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 m -152.89 170.55 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.09 151.55 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.458 ' CG2' HD11 ' A' ' 74' ' ' LEU . 4.0 t -161.31 148.72 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.952 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.7 tm? -73.42 143.09 46.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.952 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.593 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -106.59 -0.24 23.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.5 146.11 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.4 p90 -134.94 177.75 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 82' ' ' VAL . 20.1 mt-30 -131.43 142.54 50.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 tp -93.96 96.19 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -79.87 147.56 31.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 30.7 t60 -136.94 96.45 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 2.8 mtmp? 81.01 2.91 1.64 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 123.89 -26.0 6.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mtp -88.25 146.16 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.479 HG11 ' OE1' ' A' ' 72' ' ' GLN . 42.3 t -75.71 128.57 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -95.74 -40.78 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -161.96 167.69 24.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.626 HG22 ' HG2' ' A' ' 72' ' ' GLN . 40.2 t -117.85 116.68 52.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 59.6 m-85 -108.08 123.68 49.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.94 133.87 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.623 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -108.64 148.04 30.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.67 -65.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -88.8 168.18 12.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.24 -55.17 5.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -40.21 -54.86 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -46.76 -53.18 12.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.623 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 29.1 m -44.15 -60.0 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -53.39 -45.75 69.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 9.9 mtm180 -55.5 -49.99 71.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.681 ' CE2' HD11 ' A' ' 14' ' ' LEU . 39.9 m95 -64.21 -49.12 73.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 107.986 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.537 HG23 ' CG1' ' A' ' 58' ' ' VAL . 70.7 mt -53.24 -66.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -37.74 56.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -64.49 -37.39 87.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.551 ' HB3' HG21 ' A' ' 58' ' ' VAL . 11.1 m-85 -81.47 -22.38 38.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -82.47 -39.07 23.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.553 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER -78.48 -12.95 60.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.1 -60.72 4.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 53' ' ' LEU . 80.4 p -50.86 -36.86 39.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 110.43 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.553 HG22 ' HA ' ' A' ' 100' ' ' GLU . 20.9 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.512 0.196 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p -168.58 142.91 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.94 161.36 10.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -75.29 129.6 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.892 HD11 ' CE2' ' A' ' 94' ' ' TRP . 5.0 mt -134.94 144.9 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 15.4 m-85 -82.96 116.55 22.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.21 124.31 47.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.477 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 42.5 t -119.66 178.94 4.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.85 26.85 9.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.23 -145.03 13.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -95.2 -67.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mtmm -75.64 53.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -130.7 156.03 80.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.8 20.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 98.7 m95 -83.37 145.26 29.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -138.02 107.27 6.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -73.45 98.9 2.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.65 169.02 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -101.01 137.05 39.89 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' HB3' HD21 ' A' ' 36' ' ' LEU . 94.8 m-85 -137.92 145.73 42.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.2 t -137.67 123.52 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -88.81 92.59 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -117.12 136.57 52.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 54.12 30.66 12.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.83 22.6 11.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.592 HG13 ' C ' ' A' ' 51' ' ' GLN . 84.7 t -115.91 127.33 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' A' ' 29' ' ' PHE . 2.9 tm? -82.13 96.84 7.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -85.66 133.07 34.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.0 m -88.94 149.85 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 49.1 m-85 -149.51 -172.48 4.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.78 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -131.25 -45.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -164.03 175.68 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.47 146.15 26.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 40' ' ' ALA . 30.0 mt -71.93 -38.02 69.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -152.09 168.4 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.83 136.5 35.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.045 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.592 ' C ' HG13 ' A' ' 35' ' ' VAL . 1.5 mm-40 -155.6 128.42 4.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.471 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.98 128.44 11.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.585 ' O ' HG22 ' A' ' 102' ' ' THR . 38.4 mt -67.49 -12.77 61.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 55' ' ' GLY . 3.1 tt -65.67 130.33 42.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 94.37 -26.69 16.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.59 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 25.4 m-85 -82.83 -177.33 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.524 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.4 m -154.05 176.59 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.367 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.626 HG21 ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.19 155.95 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -162.32 156.95 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.86 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -83.32 144.33 29.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.86 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.729 ' HA ' HD11 ' A' ' 60' ' ' LEU . 2.7 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -130.36 6.78 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.671 HG13 HG13 ' A' ' 61' ' ' VAL . 7.4 p -138.73 142.04 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.5 p90 -135.81 169.01 18.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.645 ' HG2' HG22 ' A' ' 82' ' ' VAL . 29.4 mt-30 -122.88 150.35 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 57' ' ' THR . 57.1 tp -97.83 96.25 8.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.418 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -78.82 148.35 32.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 25.3 t-80 -137.13 95.0 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 2.7 mtmp? 82.98 -5.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.418 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 132.89 -22.55 4.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.3 mtt -94.64 141.56 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 0.796 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.25 137.74 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.472 ' HD2' HD23 ' A' ' 73' ' ' LEU . 20.9 t80 -106.98 -43.15 4.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -162.95 156.15 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.645 HG22 ' HG2' ' A' ' 72' ' ' GLN . 14.0 t -100.01 155.74 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.517 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 91.4 m-85 -148.14 132.29 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -111.1 145.26 38.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.8 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -114.69 154.95 27.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -67.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -119.91 -169.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.66 -44.62 63.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -51.9 -54.47 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.577 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.1 m -51.83 -57.78 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.8 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -40.39 -58.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -48.8 -51.35 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -52.06 -54.05 34.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.892 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.5 m95 -59.86 -51.16 70.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.029 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.723 HD11 HD23 ' A' ' 60' ' ' LEU . 17.1 mt -47.43 -68.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.9 -44.25 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.81 -30.89 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.698 ' O ' HG23 ' A' ' 102' ' ' THR . 1.9 m-85 -86.92 -27.33 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.561 ' O ' HG22 ' A' ' 103' ' ' VAL . 14.4 mm-40 -77.73 -53.17 7.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.455 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -56.74 -32.05 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.54 -50.92 45.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 98' ' ' PHE . 45.3 p -60.49 -39.77 88.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.4 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.489 0.185 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.1 p -149.51 170.45 18.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.46 143.32 5.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -48.27 140.35 7.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.91 171.65 12.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.411 ' CD1' ' ND1' ' A' ' 26' ' ' HIS . 23.4 m-85 -125.78 105.17 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -92.38 136.83 32.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 t -138.64 178.75 6.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.65 26.05 9.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.98 -167.26 29.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -86.27 -47.33 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.746 . . . . 0.0 110.008 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -85.86 40.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -127.81 155.71 76.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.75 30.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -86.67 137.47 32.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -107.94 102.83 11.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.411 ' ND1' ' CD1' ' A' ' 15' ' ' TYR . 1.9 m-70 -63.21 102.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -130.42 170.57 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -109.87 140.59 43.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 108.018 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -141.05 143.69 34.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -134.55 140.95 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 31' ' ' ILE . 64.7 mt -103.24 89.43 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -77.73 100.74 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.24 -79.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' LYS . 29.3 mttt -143.37 17.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 92.5 t -115.26 122.49 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.6 tm? -90.74 95.29 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 43.2 m-85 -82.81 159.23 22.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 48' ' ' LEU . 6.2 m -106.7 157.94 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.548 ' O ' HD23 ' A' ' 27' ' ' LEU . 59.1 m-85 -157.45 -179.03 7.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.871 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -124.78 -44.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.36 164.74 17.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -75.53 148.51 38.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.871 HD11 ' HB2' ' A' ' 40' ' ' ALA . 39.4 mt -76.61 -38.5 54.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -152.7 170.51 20.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -139.07 130.4 26.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -150.04 123.53 4.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.04 156.39 42.79 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.472 1.775 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 36' ' ' LEU . 3.6 mt -97.15 30.62 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.433 ' C ' HD23 ' A' ' 54' ' ' LEU . 7.1 tt -88.56 123.56 33.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.22 -27.95 7.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -66.56 -177.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' LEU . 5.1 m -154.51 171.3 19.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.621 HG21 ' HB3' ' A' ' 98' ' ' PHE . 1.1 t -147.09 153.48 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -159.91 148.28 17.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.946 HD22 ' N ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -88.73 137.62 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.946 ' N ' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HA ' ' OG1' ' A' ' 91' ' ' THR . 3.7 tttt 175.17 -35.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 83' ' ' PHE . 2.0 p -100.26 143.23 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -131.81 177.77 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.551 ' HG2' HG22 ' A' ' 82' ' ' VAL . 29.3 mt-30 -129.86 146.61 51.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.3 tp -93.86 99.25 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -82.32 147.89 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -137.2 108.05 6.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt 68.03 9.77 7.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.87 -24.37 10.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.97 134.87 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.16 135.5 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.403 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 47.2 t80 -108.51 -37.23 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 4.1 m-85 -166.86 172.93 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.551 HG22 ' HG2' ' A' ' 72' ' ' GLN . 16.8 t -114.66 156.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 50.0 m-85 -147.97 134.54 19.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -123.79 142.99 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.26 149.15 34.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.29 -61.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.16 178.25 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.47 12.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -49.04 -30.26 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.565 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.7 m -73.05 -41.21 64.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 95' ' ' ILE . 25.2 m -45.2 -65.92 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -38.74 -53.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -50.68 -64.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -49.48 -52.08 31.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 107.998 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 91' ' ' THR . 81.7 mt -49.22 -62.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -53.36 -45.15 69.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.34 80.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.621 ' HB3' HG21 ' A' ' 58' ' ' VAL . 5.9 m-85 -73.67 -14.36 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.611 ' O ' HG22 ' A' ' 103' ' ' VAL . 37.1 mt-30 -89.81 -62.16 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -44.95 -33.95 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.72 -70.67 0.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 53' ' ' LEU . 61.3 p -43.95 -41.19 5.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 99' ' ' GLN . 27.0 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.467 0.175 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.3 p -168.31 149.26 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.568 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 150.07 137.45 2.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.649 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 36.0 m-85 -41.41 134.9 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 85' ' ' ALA . 43.3 mt -131.12 172.3 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -116.85 101.29 8.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 9.9 ttt180 -91.87 125.37 36.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.559 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 28.8 t -132.65 166.39 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -108.07 28.18 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.18 -171.52 30.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -83.74 -45.52 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -88.28 17.38 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -101.6 155.85 35.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.12 15.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 90.7 m95 -73.2 158.12 35.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -129.81 108.1 9.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.649 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 15.6 t-80 -71.89 109.77 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -140.93 170.37 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 40.4 t-105 -110.56 140.31 44.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 107.979 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -139.71 150.49 44.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.1 t -135.3 159.77 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 57.8 mt -120.54 95.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -126.09 134.47 51.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 59.92 24.89 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.23 21.21 7.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.4 t -110.75 137.26 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.2 tm? -91.48 91.01 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -79.8 153.83 28.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.0 m -105.61 152.83 22.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 69.9 m-85 -155.4 178.67 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.88 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -125.46 -45.87 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.74 178.18 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -83.45 142.71 30.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.88 HD11 ' HB2' ' A' ' 40' ' ' ALA . 35.6 mt -71.75 -38.67 70.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -151.76 170.37 19.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.77 140.53 45.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -155.89 114.63 2.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.437 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 148.71 35.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 36' ' ' LEU . 6.7 mt -91.21 39.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.865 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -87.95 104.32 16.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.01 -28.13 17.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE1' ' O ' ' A' ' 52' ' ' PRO . 49.3 m-85 -56.22 175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LEU . 4.0 m -154.81 169.2 24.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.688 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -140.81 154.28 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 t -161.5 124.78 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 95' ' ' ILE . 3.4 tm? -62.08 141.78 57.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.683 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.693 ' HA ' HD21 ' A' ' 60' ' ' LEU . 17.7 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.91 7.42 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.431 ' O ' HD22 ' A' ' 60' ' ' LEU . 2.2 p -152.08 134.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.474 ' HD1' HG23 ' A' ' 91' ' ' THR . 4.0 p90 -125.36 175.31 7.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.441 ' HG2' HG22 ' A' ' 82' ' ' VAL . 28.6 mt-30 -126.92 152.42 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.6 HD23 ' HD2' ' A' ' 80' ' ' PHE . 32.4 tp -103.83 96.76 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -78.9 147.15 33.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -137.07 99.7 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 78.05 4.43 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 122.0 -27.44 6.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.7 142.56 27.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.2 t -70.34 134.04 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.6 ' HD2' HD23 ' A' ' 73' ' ' LEU . 13.4 t80 -99.21 -42.31 7.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 11.7 m-85 -165.98 160.3 16.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.441 HG22 ' HG2' ' A' ' 72' ' ' GLN . 11.2 t -105.55 114.06 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 48.0 m-85 -105.19 132.39 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -127.83 123.51 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -84.6 149.52 25.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -40.55 -67.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.61 179.73 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.72 -42.3 15.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.425 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 40.8 m170 -53.44 -31.54 45.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -72.82 -42.49 63.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.884 HG22 HD11 ' A' ' 95' ' ' ILE . 92.4 m -44.5 -61.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -39.83 -60.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -48.64 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.546 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 59.4 m95 -48.1 -55.44 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 107.981 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.884 HD11 HG22 ' A' ' 91' ' ' THR . 56.0 mt -43.78 -64.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -54.08 -43.55 70.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -49.37 -35.65 19.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.688 ' CB ' HG21 ' A' ' 58' ' ' VAL . 16.6 m-85 -85.11 -42.22 14.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 103' ' ' VAL . 20.7 mm-40 -62.13 -50.3 72.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.437 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -70.18 -10.55 59.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.32 -57.08 3.04 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 98' ' ' PHE . 33.6 p -60.1 -38.91 84.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 99' ' ' GLN . 20.1 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.523 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.518 0.199 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -178.8 168.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.956 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.56 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 134.59 148.4 5.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -60.39 132.88 55.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.882 HD11 ' CE2' ' A' ' 94' ' ' TRP . 32.9 mt -131.71 177.25 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.661 ' CE1' ' CE1' ' A' ' 26' ' ' HIS . 21.1 m-85 -123.96 107.18 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 15.2 ttt180 -91.19 107.46 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -107.93 177.97 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.9 5.15 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.74 -150.28 10.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.02 -56.23 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 110.031 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -80.43 5.56 14.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -82.43 156.26 68.65 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 137.4 21.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 97.8 m95 -78.99 151.45 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -122.8 103.22 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.661 ' CE1' ' CE1' ' A' ' 15' ' ' TYR . 1.7 m-70 -67.66 102.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mt -132.98 169.95 16.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 65.4 t-105 -110.22 145.51 37.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CZ ' ' HD2' ' A' ' 16' ' ' ARG . 75.0 m-85 -141.52 158.33 43.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.82 148.61 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -117.21 90.45 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.88 -39.19 38.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -171.38 -53.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 5.1 mttt -148.99 21.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.0 t -126.25 119.52 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.603 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.7 tm? -82.43 93.8 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -84.99 137.35 33.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 48' ' ' LEU . 1.9 m -91.76 158.66 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 56.4 m-85 -156.95 -174.21 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.803 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -129.22 -46.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.077 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.31 164.68 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -76.62 144.55 39.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.803 HD11 ' HB2' ' A' ' 40' ' ' ALA . 20.1 mt -72.01 -45.37 61.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -143.37 168.83 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.22 123.29 15.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -144.58 117.38 5.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 156.77 43.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -100.21 30.31 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 105.19 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.71 -26.42 20.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.464 ' CE2' ' CG ' ' A' ' 75' ' ' HIS . 39.7 m-85 -58.36 -179.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.465 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.4 m -155.44 170.46 21.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.544 HG21 ' CG ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -142.4 155.15 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -164.79 155.13 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.867 HD23 HD11 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -82.23 146.12 29.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.775 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.8 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.482 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.36 -35.65 5.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.426 HG13 HG13 ' A' ' 61' ' ' VAL . 7.4 p -113.15 140.34 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CE2' ' CB ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -133.9 178.36 7.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HG2' HG22 ' A' ' 82' ' ' VAL . 28.4 mt-30 -131.45 152.39 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.604 HD23 ' HD2' ' A' ' 80' ' ' PHE . 61.6 tp -103.91 96.98 7.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -78.25 147.9 34.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.464 ' CG ' ' CE2' ' A' ' 56' ' ' PHE . 42.0 t60 -137.16 95.23 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.591 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 81.13 2.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.456 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 124.56 -25.8 5.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.8 mtt -92.31 138.56 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.05 138.08 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.604 ' HD2' HD23 ' A' ' 73' ' ' LEU . 17.7 t80 -104.42 -41.4 5.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.408 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 4.5 m-85 -160.36 172.56 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.533 HG22 ' HG2' ' A' ' 72' ' ' GLN . 34.3 t -119.19 121.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.591 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 54.7 m-85 -110.5 122.33 47.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -113.53 135.98 53.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.42 153.76 23.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.61 -44.61 90.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.47 171.88 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.15 -52.11 4.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -48.35 -39.83 23.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.8 m -61.66 -38.63 88.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.539 HG23 ' CD1' ' A' ' 71' ' ' PHE . 21.0 m -52.1 -57.48 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' THR . 11.0 mm100 -38.66 -52.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -62.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.882 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.9 m95 -43.46 -51.15 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.867 HD11 HD23 ' A' ' 60' ' ' LEU . 43.8 mt -50.22 -70.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.89 -41.61 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -55.84 -45.74 78.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 102' ' ' THR . 21.8 m-85 -73.63 -44.91 55.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.715 ' O ' HG22 ' A' ' 103' ' ' VAL . 24.3 mm-40 -61.5 -56.62 18.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 17.9 mt-10 -52.05 -32.27 33.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' A' ' 34' ' ' LYS . . . -65.0 -63.62 4.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 98' ' ' PHE . 55.1 p -51.32 -40.25 58.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 99' ' ' GLN . 20.7 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.486 0.184 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -147.0 -74.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.494 ' O ' ' CE3' ' A' ' 28' ' ' TRP . . . 34.28 -147.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD2' ' CE3' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -124.18 150.29 45.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.721 HD11 ' CD2' ' A' ' 94' ' ' TRP . 94.6 mt -145.14 171.91 13.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.643 ' CE1' ' CE1' ' A' ' 26' ' ' HIS . 23.9 m-85 -122.75 116.16 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.21 135.17 33.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.5 158.66 43.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.82 14.15 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.99 -168.19 26.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.38 169.23 17.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.82 21.06 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -110.87 156.08 41.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -78.89 133.74 36.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 108.005 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -107.61 103.87 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.643 ' CE1' ' CE1' ' A' ' 15' ' ' TYR . 1.5 m-70 -62.65 100.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 25' ' ' LYS . 1.1 mt -126.75 161.96 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.494 ' CE3' ' O ' ' A' ' 12' ' ' GLY . 60.0 t-105 -102.32 141.66 34.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD1' HD11 ' A' ' 36' ' ' LEU . 94.2 m-85 -136.89 147.51 46.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.2 t -137.44 154.38 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.0 mt -120.49 104.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 7.7 ttpp -135.4 144.35 46.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.2 t30 51.93 28.59 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 tptt 63.65 36.06 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.654 HG13 ' C ' ' A' ' 51' ' ' GLN . 85.6 t -128.9 135.49 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.61 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.7 tm? -88.28 93.06 9.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 42.7 m-85 -79.31 145.49 33.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.418 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 35.4 m -99.51 152.29 20.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.437 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.729 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 71.5 m-85 -157.04 178.66 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.779 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -120.45 -42.6 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -159.14 147.21 17.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.729 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -70.68 142.66 51.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 40' ' ' ALA . 67.9 mt -67.66 -38.96 84.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -149.45 165.61 31.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.96 132.94 31.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.654 ' C ' HG13 ' A' ' 35' ' ' VAL . 54.1 mm-40 -148.46 127.99 6.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.493 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.95 128.34 11.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 36' ' ' LEU . 14.2 mt -67.32 -32.98 74.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.53 102.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.42 30.71 2.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 75' ' ' HIS . 26.6 m-85 -139.74 -171.91 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' LEU . 6.9 m -155.98 171.66 19.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -146.48 159.62 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.413 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.4 t -168.21 162.22 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -85.12 140.77 30.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.778 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.513 ' HA ' HD11 ' A' ' 60' ' ' LEU . 4.2 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.645 ' HG2' ' HB2' ' A' ' 88' ' ' ALA . 15.6 mttm -112.2 11.37 20.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -156.61 154.44 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' HA ' HG12 ' A' ' 61' ' ' VAL . 1.3 p90 -146.21 177.03 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.743 ' HG2' HG22 ' A' ' 82' ' ' VAL . 20.6 mt-30 -127.01 154.86 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.474 HD22 ' HE2' ' A' ' 83' ' ' PHE . 18.3 tp -103.54 96.04 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -78.98 147.62 32.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.596 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 69.2 t60 -136.21 95.65 3.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.596 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 4.6 mtpt 80.77 2.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.434 ' O ' HD23 ' A' ' 74' ' ' LEU . . . 124.14 -23.9 6.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.77 141.34 28.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.409 HG11 ' OE1' ' A' ' 72' ' ' GLN . 55.0 t -68.81 138.47 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.455 ' HD2' HD23 ' A' ' 73' ' ' LEU . 33.7 t80 -108.29 -38.22 5.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.462 ' CE2' ' NH1' ' A' ' 16' ' ' ARG . 3.7 m-85 -166.34 167.33 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.743 HG22 ' HG2' ' A' ' 72' ' ' GLN . 83.9 t -113.21 111.48 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 29.0 m-85 -104.46 124.84 49.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -112.6 134.77 53.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.69 150.15 21.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.26 -63.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.82 -178.28 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.645 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . . . -80.42 -48.63 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -48.91 -38.37 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 m -62.51 -48.18 80.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -39.25 -65.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -44.14 -53.36 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -50.57 -60.72 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.721 ' CD2' HD11 ' A' ' 14' ' ' LEU . 69.1 m95 -50.26 -54.31 22.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.486 HG23 ' CG1' ' A' ' 58' ' ' VAL . 18.9 mt -45.43 -64.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -53.61 -44.5 69.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -52.57 -48.24 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.774 ' O ' HG23 ' A' ' 102' ' ' THR . 15.8 m-85 -70.2 -41.01 74.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 103' ' ' VAL . 7.3 mm-40 -58.5 -58.37 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 11.5 mt-10 -59.32 -34.28 72.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.15 -59.67 9.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 98' ' ' PHE . 61.0 p -53.16 -42.56 66.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.0 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.401 ' HG2' ' CE3' ' A' ' 94' ' ' TRP . 5.8 tpt . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.504 0.192 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 p -158.98 143.81 15.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.056 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.41 155.94 7.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -68.81 134.36 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.801 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.743 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 21.8 mt -134.39 168.29 19.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.726 ' CE1' ' CG ' ' A' ' 26' ' ' HIS . 26.5 m-85 -112.76 116.42 30.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -97.39 128.38 44.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -124.93 173.53 8.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.42 29.6 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.25 -154.51 25.56 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.77 -53.24 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -80.65 3.26 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -82.45 156.08 68.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 150.29 37.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.9 m95 -87.32 152.85 21.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 110.2 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.726 ' CG ' ' CE1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -66.25 118.34 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.594 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -143.14 163.86 31.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -110.53 139.99 45.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 107.989 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.517 ' CD1' HD11 ' A' ' 36' ' ' LEU . 81.1 m-85 -139.79 157.54 45.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -144.86 152.76 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -109.77 101.5 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -130.86 132.42 45.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.4 t30 58.51 24.43 11.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 68.58 33.89 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -126.41 132.34 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.1 tm? -87.05 91.12 8.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -79.65 146.54 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 7.4 m -95.87 160.39 14.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.34 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.483 ' CG ' ' O ' ' A' ' 38' ' ' THR . 84.6 m-85 -162.61 171.31 17.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.935 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -117.17 -39.52 3.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -170.4 167.28 8.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -71.2 145.25 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.935 HD11 ' HB2' ' A' ' 40' ' ' ALA . 70.8 mt -77.23 -36.92 54.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -151.08 177.67 9.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.253 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.54 140.63 33.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -155.14 113.56 2.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 145.66 31.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mt -94.98 32.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -81.29 110.35 16.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' HD22 ' A' ' 54' ' ' LEU . . . 93.67 -29.63 8.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 31.9 m-85 -52.5 179.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -152.7 170.58 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.648 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -142.76 150.42 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.1 t -157.55 149.79 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.915 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.3 tm? -79.5 143.55 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.915 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.706 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.603 ' HD3' ' HB2' ' A' ' 88' ' ' ALA . 2.1 mttp -123.67 21.94 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' HD22 ' A' ' 60' ' ' LEU . 3.0 p -149.91 136.83 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.3 p90 -131.62 177.2 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' HG3' HG11 ' A' ' 61' ' ' VAL . 31.6 mt-30 -133.27 145.43 50.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.46 HD23 ' HD2' ' A' ' 80' ' ' PHE . 28.8 tp -93.61 97.75 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER -80.58 145.86 31.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER -137.13 119.19 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.63 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 0.4 OUTLIER 59.79 13.2 3.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 110.92 -29.1 9.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.483 ' HG2' ' CG ' ' A' ' 76' ' ' LYS . 5.7 ptp -89.18 140.59 29.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.0 141.39 17.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.46 ' HD2' HD23 ' A' ' 73' ' ' LEU . 15.1 t80 -108.84 -38.77 5.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -165.82 -179.47 5.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 t -125.65 116.13 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.46 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 55.3 m-85 -108.95 138.97 44.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.11 149.27 39.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.721 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -111.18 157.84 19.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.84 -64.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -115.01 -179.82 3.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.603 ' HB2' ' HD3' ' A' ' 69' ' ' LYS . . . -61.76 -47.61 84.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -51.84 -58.93 5.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.555 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.502 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 69.1 m -40.3 -57.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.721 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 1.2 m -45.06 -60.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -49.09 -52.88 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -55.5 -50.48 69.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.743 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 72.8 m95 -57.84 -47.82 81.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 107.964 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.73 HD11 HD23 ' A' ' 60' ' ' LEU . 61.3 mt -52.45 -71.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -50.75 -36.0 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -62.73 -36.61 83.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.648 ' CB ' HG21 ' A' ' 58' ' ' VAL . 9.8 m-85 -84.44 -34.16 23.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.565 ' O ' HG22 ' A' ' 103' ' ' VAL . 11.5 mm-40 -67.81 -41.17 83.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.531 ' HA ' HG22 ' A' ' 103' ' ' VAL . 3.0 mt-10 -67.52 -27.37 66.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.25 -52.15 38.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.8 p -61.83 -44.36 97.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 99' ' ' GLN . 16.3 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.461 0.172 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.9 p -157.02 113.94 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -171.27 160.55 32.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' O ' HD23 ' A' ' 14' ' ' LEU . 19.4 m-85 -76.96 134.62 38.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 8.5 mt -136.95 161.11 36.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.615 ' CE1' ' CE1' ' A' ' 26' ' ' HIS . 24.0 m-85 -108.83 123.13 48.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.52 139.3 32.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -141.62 161.87 36.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 39.52 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.99 -179.09 18.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' LYS . 2.0 m -65.8 -77.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -70.12 57.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' SER . 4.2 mmtt -130.03 156.03 79.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 136.79 21.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.7 m95 -81.27 153.97 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -131.57 109.01 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.615 ' CE1' ' CE1' ' A' ' 15' ' ' TYR . 1.7 m-70 -63.08 110.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -134.36 164.25 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 43.1 t-105 -119.75 127.7 53.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD1' HD11 ' A' ' 36' ' ' LEU . 88.2 m-85 -122.91 159.97 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 29' ' ' PHE . 3.9 t -151.11 133.7 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.3 mt -95.82 93.94 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -86.69 -98.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.1 t30 -93.09 63.93 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 56.37 21.8 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 33' ' ' ASN . 92.1 t -115.0 130.56 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 29' ' ' PHE . 3.3 tm? -85.76 93.6 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 23.6 m-85 -81.67 150.05 28.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.544 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 16.5 m -111.18 156.57 21.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 70.7 m-85 -152.71 178.4 9.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 1.027 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -116.84 -9.59 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 40' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -152.91 -174.97 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 38' ' ' THR . . . -86.22 141.89 28.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.027 HD11 ' HB2' ' A' ' 40' ' ' ALA . 96.8 mt -68.23 -41.3 81.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -141.27 163.33 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.501 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -142.23 130.26 21.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.412 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 51.5 tp60 -147.39 124.29 5.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.412 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.3 Cg_endo -75.01 121.94 6.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.09 -25.06 63.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.23 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.53 35.05 1.34 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 75' ' ' HIS . 26.4 m-85 -139.84 -173.53 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.5 m -154.1 170.83 20.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.614 HG23 HD12 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -147.12 152.42 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.465 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -155.5 148.62 24.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.482 HD23 HD11 ' A' ' 95' ' ' ILE . 3.1 tm? -78.64 139.57 38.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' A' ' 71' ' ' PHE . 3.8 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 2.8 mttt -112.61 23.59 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.606 HG13 HG13 ' A' ' 61' ' ' VAL . 2.9 p -154.07 156.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.617 ' HA ' HG12 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -148.77 175.33 11.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 110.96 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.482 ' HG2' HG22 ' A' ' 82' ' ' VAL . 30.9 mt-30 -130.09 147.54 51.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.614 HD12 HG23 ' A' ' 58' ' ' VAL . 20.2 tp -97.65 100.03 11.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -83.61 150.78 25.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 76' ' ' LYS . 8.0 t-80 -137.24 94.86 2.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 83.69 -2.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 130.2 -26.21 4.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.7 mtm -90.5 148.0 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.5 t -74.85 128.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.512 ' HD2' HD23 ' A' ' 73' ' ' LEU . 42.3 t80 -99.43 -38.94 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.417 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 5.5 m-85 -166.9 157.75 12.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.482 HG22 ' HG2' ' A' ' 72' ' ' GLN . 44.6 t -98.33 157.53 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 54.3 m-85 -152.49 127.96 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -111.18 147.33 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 90' ' ' SER . . . -116.72 155.34 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -45.92 -66.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.16 174.45 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -62.61 -46.05 90.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.411 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 1.2 m-70 -50.26 -47.73 55.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.551 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -53.91 -49.41 68.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.716 HG22 ' CD1' ' A' ' 95' ' ' ILE . 97.8 m -47.52 -61.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -39.2 -52.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.411 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -57.06 -55.46 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.61 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 75.9 m95 -54.53 -49.69 69.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.716 ' CD1' HG22 ' A' ' 91' ' ' THR . 97.3 mt -51.57 -69.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -50.35 -35.71 29.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.5 83.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.669 ' O ' HG23 ' A' ' 102' ' ' THR . 15.8 m-85 -83.72 -30.63 26.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.47 ' O ' HG22 ' A' ' 103' ' ' VAL . 21.9 mm-40 -69.24 -49.74 53.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.583 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -68.66 -28.75 67.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.22 -62.49 5.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 98' ' ' PHE . 49.3 p -53.13 -45.48 68.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.773 . . . . 0.0 110.412 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.583 HG22 ' HA ' ' A' ' 100' ' ' GLU . 5.0 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.554 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.494 0.188 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -177.23 162.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.497 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 130.64 159.61 9.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -69.92 124.7 24.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.877 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 3.8 mt -126.96 143.69 51.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -83.37 112.39 19.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 82' ' ' VAL . 52.3 ttp180 -100.1 108.52 20.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -99.51 -177.42 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.041 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 3.2 mttt -129.04 20.49 5.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.82 -136.16 4.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.138 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.08 -65.91 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.756 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -1.09 23.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 18' ' ' LYS . 12.7 mmtt -69.95 156.63 91.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.442 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -75.01 142.4 27.76 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.787 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 81.7 m95 -87.57 142.37 27.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 23' ' ' PRO . 3.9 mtmt -123.82 101.64 7.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -71.28 98.74 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.73 170.64 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.497 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.1 t-105 -103.94 134.42 47.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 107.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 36' ' ' LEU . 98.4 m-85 -134.6 149.15 50.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -143.38 123.07 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 10' ' ' MET . 92.2 mt -84.91 98.07 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -120.13 133.34 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 60.63 19.8 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 mptt 77.79 14.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.588 HG13 ' C ' ' A' ' 51' ' ' GLN . 83.1 t -108.93 132.63 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.0 tm? -82.99 93.33 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' A' ' 32' ' ' LYS . 54.3 m-85 -80.32 147.52 31.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 m -103.07 155.28 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 67.3 m-85 -155.43 179.17 9.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.891 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -120.99 -40.78 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.55 149.34 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -69.11 134.62 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.891 HD11 ' HB2' ' A' ' 40' ' ' ALA . 74.9 mt -62.08 -41.15 97.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -148.73 166.87 27.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.18 124.94 15.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.588 ' C ' HG13 ' A' ' 35' ' ' VAL . 61.0 mm-40 -143.65 127.14 9.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.494 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 157.47 42.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 102' ' ' THR . 14.7 mt -100.46 25.23 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 tt -84.91 123.23 30.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.74 -16.88 43.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.494 ' CE2' ' O ' ' A' ' 52' ' ' PRO . 53.0 m-85 -74.35 177.02 6.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -149.02 167.58 25.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.715 ' CG1' HG23 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -144.74 152.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 t -160.67 147.95 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.4 tm? -80.91 142.76 33.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.908 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.0 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.642 ' HA ' HD11 ' A' ' 60' ' ' LEU . 17.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.525 ' HE2' ' HB2' ' A' ' 88' ' ' ALA . 16.4 mttt -132.39 12.69 4.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.23 147.1 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.565 ' HA ' HG12 ' A' ' 61' ' ' VAL . 2.4 p90 -138.07 177.87 7.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.592 ' HG2' HG22 ' A' ' 82' ' ' VAL . 29.1 mt-30 -129.78 145.74 51.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.647 HD23 ' HD2' ' A' ' 80' ' ' PHE . 48.1 tp -95.86 99.09 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -84.22 148.04 26.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 20.7 t-80 -137.23 95.12 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.572 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 87.94 -33.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.428 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 163.22 -27.26 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.31 141.94 28.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.78 129.17 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.647 ' HD2' HD23 ' A' ' 73' ' ' LEU . 19.2 t80 -93.07 -41.78 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 11.5 m-85 -166.43 157.95 13.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.592 HG22 ' HG2' ' A' ' 72' ' ' GLN . 88.5 t -99.91 132.58 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 69.2 m-85 -126.07 131.87 52.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -117.08 138.64 51.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.752 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -105.77 150.91 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -74.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -94.78 178.48 5.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.525 ' HB2' ' HE2' ' A' ' 69' ' ' LYS . . . -72.36 -61.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.451 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 8.3 m170 -39.52 -43.29 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -56.55 19.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.752 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 1.3 m -42.43 -52.86 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.354 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -56.92 -58.15 9.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.451 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -46.44 -47.07 19.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.237 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.877 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 74.9 m95 -60.67 -53.76 53.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 108.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.715 HG23 ' CG1' ' A' ' 58' ' ' VAL . 8.8 mt -51.36 -58.3 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -55.01 -40.67 70.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.14 -34.19 77.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 102' ' ' THR . 13.5 m-85 -81.49 -30.01 33.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -73.16 -39.76 65.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.526 ' HA ' HG22 ' A' ' 103' ' ' VAL . 1.2 pt-20 -78.02 -13.17 59.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.11 -44.82 43.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.442 1.088 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 53' ' ' LEU . 22.7 p -65.7 -24.43 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.368 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 100' ' ' GLU . 28.7 m . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.1 tpt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.497 0.189 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -169.56 136.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.545 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 165.74 150.46 6.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 63.8 m-85 -65.1 129.03 38.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 94' ' ' TRP . 76.4 mt -129.6 150.79 50.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -97.78 119.0 35.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -91.27 136.85 32.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -156.53 132.57 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -36.6 82.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.52 -163.09 10.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -85.87 -37.93 18.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 0.0 110.015 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -85.82 39.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -129.87 155.51 80.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.74 8.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 97.9 m95 -66.86 135.87 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 121.11 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.534 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 51.3 t-80 -71.71 120.42 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.616 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -142.64 168.9 18.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.545 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 70.2 t-105 -120.59 137.61 54.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 107.985 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.62 ' HB3' HD21 ' A' ' 36' ' ' LEU . 97.5 m-85 -135.48 158.21 44.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -150.48 157.5 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -118.63 89.03 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 3.3 tttp -71.27 -84.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.672 ' O ' HG23 ' A' ' 35' ' ' VAL . 36.2 t-20 -115.51 71.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttp 59.49 17.45 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 33' ' ' ASN . 95.8 t -115.09 125.4 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 29' ' ' PHE . 2.7 tm? -81.39 91.55 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 13.5 m-85 -79.91 132.29 36.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.55 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 3.4 m -90.18 160.64 16.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.719 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 65.0 m-85 -157.99 172.61 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 1.013 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -114.77 -11.06 12.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 40' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.82 -175.28 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.03 135.43 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.013 HD11 ' HB2' ' A' ' 40' ' ' ALA . 81.3 mt -61.45 -47.69 84.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -135.07 158.92 43.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.556 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -140.06 132.8 29.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.562 ' C ' HG13 ' A' ' 35' ' ' VAL . 39.3 tp60 -152.71 133.4 7.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.2 Cg_endo -75.06 129.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.27 -21.09 66.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.547 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -54.42 113.4 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.532 ' N ' HD13 ' A' ' 54' ' ' LEU . . . 112.78 -34.07 5.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -75.24 -178.26 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.479 ' O ' HD12 ' A' ' 73' ' ' LEU . 3.5 m -152.63 168.86 24.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.518 HG21 ' CG ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.25 152.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -161.26 129.85 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.647 HD23 HD11 ' A' ' 95' ' ' ILE . 3.5 tm? -63.14 141.72 58.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.616 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.1 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.58 ' HA ' HD21 ' A' ' 60' ' ' LEU . 13.5 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 91' ' ' THR . 9.9 tttt -121.69 -41.75 2.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -103.53 145.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -131.24 177.82 7.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.562 ' HG2' HG22 ' A' ' 82' ' ' VAL . 26.0 mt-30 -125.91 148.24 49.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 57' ' ' THR . 43.4 tp -99.67 98.22 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -82.72 146.68 28.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 29.6 t-80 -136.51 98.76 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 14.9 mtmt 82.25 -1.97 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.451 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 127.47 -23.66 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 25.3 mtt -95.49 142.31 27.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.75 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.09 128.75 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 62.0 t80 -101.67 -33.12 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.624 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 4.5 m-85 -167.3 169.62 12.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.562 HG22 ' HG2' ' A' ' 72' ' ' GLN . 21.5 t -118.46 144.93 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.429 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 61.1 m-85 -136.48 127.06 26.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 85' ' ' ALA . 3.8 tttt -109.82 141.49 42.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . -111.25 143.05 42.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.34 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -94.51 174.69 6.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.78 -47.07 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -46.92 -50.53 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.607 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -51.8 28.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.958 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.457 HG22 HD11 ' A' ' 95' ' ' ILE . 24.2 m -40.76 -68.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 91' ' ' THR . 11.3 mm100 -38.52 -58.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -53.18 36.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 63.8 m95 -55.02 -53.31 57.4 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.647 HD11 HD23 ' A' ' 60' ' ' LEU . 94.9 mt -46.91 -63.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.8 -42.03 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -54.15 -49.78 68.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.518 ' CG ' HG21 ' A' ' 58' ' ' VAL . 7.1 m-85 -68.78 -49.64 56.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.698 ' O ' HG22 ' A' ' 103' ' ' VAL . 18.1 mm-40 -53.97 -56.78 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.437 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 3.5 mt-10 -56.26 -36.64 68.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.0 -55.93 25.31 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.4 p -57.43 -42.31 82.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 99' ' ' GLN . 21.4 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.543 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.503 0.192 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.9 p -179.57 126.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.539 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 167.69 178.47 39.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 42.9 m-85 -88.63 138.32 31.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.532 HD11 ' CD2' ' A' ' 94' ' ' TRP . 78.5 mt -136.64 151.47 49.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CE1' ' ND1' ' A' ' 26' ' ' HIS . 30.0 m-85 -94.54 112.79 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.46 120.31 32.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 2.2 m -127.09 155.76 42.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -98.76 15.29 25.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.6 -152.37 23.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.155 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -96.22 -55.73 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -81.79 47.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -130.46 155.71 80.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.63 10.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 95.4 m95 -70.84 154.71 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.98 112.79 11.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.541 ' ND1' ' CE1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -75.47 113.64 13.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.633 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.52 166.89 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.539 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 70.0 t-105 -104.58 140.31 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 107.984 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -137.92 151.89 48.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.4 t -147.53 125.19 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -93.91 110.01 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.52 137.74 44.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 57.54 24.64 10.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.95 25.22 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 85.9 t -117.78 133.57 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.0 tm? -90.0 93.4 9.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -79.22 151.48 31.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.577 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 53.4 m -106.67 159.33 16.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.661 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 67.3 m-85 -160.97 169.24 22.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 1.05 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -111.01 -28.57 8.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.1 176.39 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -82.69 145.82 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.05 HD11 ' HB2' ' A' ' 40' ' ' ALA . 96.0 mt -70.98 -33.01 70.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -151.75 167.39 28.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.95 123.78 15.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -145.99 126.52 7.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.99 153.5 41.87 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 36' ' ' LEU . 12.2 mt -96.41 38.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -94.61 117.93 30.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.01 -11.66 70.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 75' ' ' HIS . 39.5 m-85 -81.63 178.1 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 110.973 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -153.94 169.14 24.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.536 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -144.83 151.19 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 74' ' ' LEU . 5.8 t -162.24 140.36 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 61' ' ' VAL . 2.8 tm? -72.57 141.02 48.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.5 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.487 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -164.29 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -107.07 129.85 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 3.1 p90 -119.44 178.02 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.843 ' HG2' HG22 ' A' ' 82' ' ' VAL . 15.4 mt-30 -125.35 145.6 49.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.457 HD22 ' HE2' ' A' ' 83' ' ' PHE . 62.6 tp -97.04 98.47 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -81.31 146.21 30.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . 63.3 t60 -136.81 96.96 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER 81.29 6.67 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.51 -17.56 13.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.8 mtt -100.09 137.14 38.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.471 HG11 ' OE1' ' A' ' 72' ' ' GLN . 55.0 t -64.87 125.07 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 67.6 t80 -94.87 -37.69 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 3.9 m-85 -164.94 167.78 18.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.843 HG22 ' HG2' ' A' ' 72' ' ' GLN . 59.4 t -115.39 127.83 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.457 ' HE2' HD22 ' A' ' 73' ' ' LEU . 59.7 m-85 -120.06 130.52 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -115.25 132.58 56.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.27 157.86 15.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -58.8 -54.6 45.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.45 -172.29 2.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.37 -49.04 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -49.37 -32.97 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.9 m -69.45 -48.38 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.827 HG22 ' CD1' ' A' ' 95' ' ' ILE . 96.4 m -40.32 -63.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' THR . 15.0 mm100 -38.85 -48.23 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -58.24 -64.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.543 ' CD2' ' SD ' ' A' ' 10' ' ' MET . 69.1 m95 -47.76 -49.71 27.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 108.051 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.827 ' CD1' HG22 ' A' ' 91' ' ' THR . 96.9 mt -49.44 -66.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.54 -40.9 63.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -56.3 -39.06 72.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CB ' HG21 ' A' ' 58' ' ' VAL . 8.7 m-85 -81.09 -32.24 34.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.502 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.4 mm-40 -71.81 -57.62 4.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.469 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -56.08 -22.8 29.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.98 -53.39 10.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 98' ' ' PHE . 43.5 p -61.7 -41.64 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 99' ' ' GLN . 19.6 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 tpt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.52 0.2 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.4 p -160.35 170.02 21.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.571 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 138.08 176.75 14.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.85 140.31 29.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.891 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 9.2 mt -140.48 168.95 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 18.4 m-85 -118.57 123.54 45.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.476 ' H ' HD21 ' A' ' 27' ' ' LEU . 8.4 ttp180 -101.19 145.93 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.72 166.62 32.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.051 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -31.44 13.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.81 162.05 26.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 4.6 m -47.92 164.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 0.737 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 20' ' ' SER . 15.4 mmtt 80.2 -44.54 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 20' ' ' SER . 4.5 mttp -69.7 156.42 91.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.25 22.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CH2' HG12 ' A' ' 82' ' ' VAL . 92.6 m95 -71.43 137.99 48.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 107.998 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.838 ' HB3' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -93.04 147.5 22.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.544 ' C ' HD13 ' A' ' 27' ' ' LEU . 1.3 t-80 -104.1 114.8 29.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.924 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -154.09 173.07 16.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 3.6 t-105 -128.62 152.13 48.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.742 ' HE1' HD23 ' A' ' 27' ' ' LEU . 57.5 m-85 -141.71 170.14 16.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 29' ' ' PHE . 29.0 t -154.33 157.13 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.6 mt -118.14 89.04 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 8.6 ttpt -80.52 -90.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.794 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.5 t-20 -105.7 71.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 52.06 22.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 33' ' ' ASN . 78.8 t -116.07 127.74 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.61 HD11 ' CD2' ' A' ' 29' ' ' PHE . 2.3 tm? -84.35 93.89 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 40.0 m-85 -86.62 134.78 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 m -85.15 155.63 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' TRP . 65.8 m-85 -157.23 174.47 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.744 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -117.38 -38.21 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.72 157.39 26.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -76.48 144.03 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.744 HD11 ' HB2' ' A' ' 40' ' ' ALA . 37.0 mt -74.23 -39.55 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -149.61 169.59 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -140.73 121.56 14.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -141.07 122.86 9.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.0 154.37 42.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 36' ' ' LEU . 2.4 mt -98.09 34.37 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.74 110.3 18.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.17 -37.05 3.63 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' C ' ' OG1' ' A' ' 57' ' ' THR . 45.2 m-85 -50.94 178.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 0.745 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.7 m -154.89 169.32 24.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.54 153.02 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -158.52 130.52 6.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 70' ' ' VAL . 2.7 tm? -68.36 141.07 55.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.641 ' H ' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 1.9 ttpm? -134.36 10.6 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.656 ' O ' HD22 ' A' ' 60' ' ' LEU . 3.1 p -139.42 152.81 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 83' ' ' PHE . 1.1 p90 -140.74 169.55 17.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -123.23 147.51 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.532 HD23 ' HD2' ' A' ' 80' ' ' PHE . 62.1 tp -97.81 100.65 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER -83.46 149.38 26.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 30.7 t-80 -137.18 94.66 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 86.96 -19.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.444 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 147.16 -21.92 1.57 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.82 143.69 26.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.8 t -67.07 137.62 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.532 ' HD2' HD23 ' A' ' 73' ' ' LEU . 28.6 t80 -104.94 -42.79 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -161.29 160.56 29.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.425 HG12 ' CH2' ' A' ' 24' ' ' TRP . 19.1 t -104.0 113.79 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.37 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 38.0 m-85 -104.32 126.83 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 85' ' ' ALA . 2.3 ttmt -118.23 139.56 51.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . -104.38 157.01 17.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.5 -63.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -104.02 158.58 16.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.93 41.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -41.54 -51.77 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.8 m -48.89 -52.0 26.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.585 HG22 HD11 ' A' ' 95' ' ' ILE . 23.8 m -39.03 -69.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -41.53 -58.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -44.53 -59.94 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.891 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 73.5 m95 -51.56 -58.03 7.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 91' ' ' THR . 22.0 mt -41.47 -67.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.15 -42.75 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -54.73 -43.44 72.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.452 ' CB ' HG21 ' A' ' 58' ' ' VAL . 5.9 m-85 -75.94 -34.26 59.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.704 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.0 mm-40 -67.03 -58.5 4.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.415 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 17.8 mt-10 -52.81 -23.94 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.99 -51.24 7.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.8 p -62.65 -31.29 72.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.371 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 99' ' ' GLN . 34.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 tpt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.538 0.209 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -171.11 165.76 7.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 138.16 147.89 5.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 21.2 m-85 -63.77 139.44 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.084 HD11 ' CE2' ' A' ' 94' ' ' TRP . 39.7 mt -141.4 -176.68 4.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -131.39 118.85 20.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 4.0 ttm180 -92.52 118.41 30.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 82' ' ' VAL . 3.1 m -124.9 129.23 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.953 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -8.88 55.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.7 -148.39 5.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.22 -53.35 2.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 0.742 . . . . 0.0 109.946 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -72.57 -5.37 36.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -80.19 156.15 74.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.52 12.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 96.3 m95 -69.13 157.97 35.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -133.25 120.03 20.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.516 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 16.3 t-80 -72.0 117.47 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.579 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -144.5 170.33 16.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.1 t-105 -118.36 141.01 48.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 36' ' ' LEU . 92.5 m-85 -136.62 158.42 44.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 31' ' ' ILE . 37.1 t -152.26 161.84 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.439 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 44.9 mt -124.87 91.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 1.5 ttpt -80.62 -89.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 1.01 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.9 t30 -102.18 78.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 mttt 42.73 31.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 33' ' ' ASN . 88.4 t -130.19 127.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.532 HD11 ' CD1' ' A' ' 29' ' ' PHE . 3.4 tm? -82.05 96.71 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 25.4 m-85 -85.28 127.19 34.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.532 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 2.4 m -83.66 157.46 22.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -154.37 -172.76 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.787 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -129.08 -44.93 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -156.67 -179.76 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 38' ' ' THR . . . -94.78 145.34 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 40' ' ' ALA . 32.8 mt -70.94 -41.42 71.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -146.21 165.71 28.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.453 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -141.68 134.19 28.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.494 ' C ' HG13 ' A' ' 35' ' ' VAL . 38.6 tp60 -155.12 132.86 6.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.05 156.09 42.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 36' ' ' LEU . 9.2 mt -100.28 16.96 22.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' C ' HD23 ' A' ' 54' ' ' LEU . 6.8 tt -76.7 124.04 27.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 89.43 -30.68 5.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -63.73 176.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -150.13 171.07 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.475 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.23 153.47 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.403 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -160.87 140.51 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.946 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.5 tm? -72.84 140.49 47.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.946 ' N ' HD13 ' A' ' 60' ' ' LEU . 7.3 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.642 ' HA ' HD21 ' A' ' 60' ' ' LEU . 6.4 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -112.29 -14.06 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 83' ' ' PHE . 1.4 p -142.75 146.01 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.702 ' CD1' HG23 ' A' ' 91' ' ' THR . 2.4 p90 -136.63 178.1 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.3 153.31 47.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.504 HD23 ' HD2' ' A' ' 80' ' ' PHE . 58.2 tp -102.46 101.73 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.423 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -84.17 148.84 26.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 48.2 t60 -137.22 96.28 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER 82.01 0.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.423 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 125.19 -22.33 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.4 mtp -95.45 143.08 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.44 125.56 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.507 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 35.6 t80 -97.48 -34.86 10.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 8.8 m-85 -170.71 156.67 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 17' ' ' SER . 21.2 t -100.79 154.98 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 58.4 m-85 -150.7 126.4 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -112.89 148.55 34.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.722 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -118.31 145.29 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.79 -61.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.71 169.08 9.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.06 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -48.51 -35.21 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.574 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.5 m -67.69 -48.12 67.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.824 HG22 HD11 ' A' ' 95' ' ' ILE . 98.9 m -47.09 -58.98 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.493 ' HA ' HD12 ' A' ' 95' ' ' ILE . 14.5 mm100 -39.77 -44.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.17 -66.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.084 ' CE2' HD11 ' A' ' 14' ' ' LEU . 35.7 m95 -46.53 -45.69 18.76 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.824 HD11 HG22 ' A' ' 91' ' ' THR . 93.5 mt -52.01 -71.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -47.13 -44.13 21.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.54 -37.24 70.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.475 ' CB ' HG21 ' A' ' 58' ' ' VAL . 11.7 m-85 -83.18 -30.16 28.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 103' ' ' VAL . 49.6 mt-30 -73.49 -57.8 3.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.43 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -50.98 -34.87 30.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.1 -59.22 8.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 98' ' ' PHE . 25.2 p -53.56 -42.4 67.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 99' ' ' GLN . 20.1 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 tpt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.496 0.189 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -151.38 145.85 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.04 135.66 2.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.775 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 13.3 m-85 -49.81 138.86 14.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.906 HD11 ' CE2' ' A' ' 94' ' ' TRP . 69.6 mt -139.85 160.31 40.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -107.32 112.86 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -92.73 138.52 31.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.46 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 16.3 t -148.81 167.26 26.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.042 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -112.24 29.97 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.63 176.85 22.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -74.48 -47.74 31.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 0.803 . . . . 0.0 110.039 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -83.08 45.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -130.81 155.77 80.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.54 15.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 97.1 m95 -77.3 156.92 31.01 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -137.96 113.72 9.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 36.1 t-80 -68.65 101.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.55 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -123.98 167.93 13.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -109.75 141.73 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.52 155.55 46.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.3 t -148.46 153.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.3 mt -115.59 115.97 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -143.16 138.46 29.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.0 t30 54.91 30.68 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mttt 65.25 23.51 12.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 33' ' ' ASN . 46.4 t -116.7 142.76 29.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.1 tm? -97.89 102.33 14.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -89.89 135.2 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 m -92.28 152.4 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 58.8 m-85 -152.58 -176.65 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.06 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.848 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -118.61 -40.14 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.11 175.04 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -87.45 140.4 29.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.848 HD11 ' HB2' ' A' ' 40' ' ' ALA . 76.7 mt -67.31 -41.36 85.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -148.83 167.85 24.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.03 132.79 30.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -146.44 119.19 5.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.97 149.92 37.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 mt -97.59 37.91 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.8 106.56 18.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.63 -19.93 52.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.412 ' C ' ' OG1' ' A' ' 57' ' ' THR . 32.9 m-85 -64.48 -177.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 73' ' ' LEU . 7.3 m -156.56 172.7 18.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -146.97 151.07 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.401 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.5 t -157.84 142.7 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.945 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.6 tm? -73.62 141.9 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.945 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.721 ' HA ' HD21 ' A' ' 60' ' ' LEU . 68.5 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.774 ' HE2' ' HB2' ' A' ' 88' ' ' ALA . 16.1 mttt -109.44 -19.36 13.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -127.39 144.64 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.633 ' HA ' HG12 ' A' ' 61' ' ' VAL . 1.4 p90 -135.84 177.72 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.585 ' HG3' HG11 ' A' ' 61' ' ' VAL . 31.3 mt-30 -129.65 155.16 46.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 57' ' ' THR . 56.7 tp -105.64 98.23 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -80.63 146.92 30.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 60.0 t60 -137.09 95.73 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 82.37 3.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 122.44 -25.1 6.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 143.97 25.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.52 133.48 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.459 ' HD2' HD23 ' A' ' 73' ' ' LEU . 28.2 t80 -101.59 -37.78 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -163.9 165.09 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.8 t -114.96 117.08 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 55.8 m-85 -110.59 123.14 49.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -106.67 153.98 21.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 69' ' ' LYS . . . -126.18 156.21 40.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.92 -48.99 19.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -101.88 163.4 12.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.774 ' HB2' ' HE2' ' A' ' 69' ' ' LYS . . . -83.63 -58.0 2.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -42.16 -39.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.615 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.1 m -60.69 -48.11 83.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.413 HG22 HD11 ' A' ' 95' ' ' ILE . 16.0 m -43.64 -56.11 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -49.25 -40.4 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 5.0 mtt180 -63.91 -50.97 66.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.906 ' CE2' HD11 ' A' ' 14' ' ' LEU . 23.5 m95 -60.51 -44.58 95.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.011 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 60' ' ' LEU . 76.6 mt -56.8 -66.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.89 -32.95 55.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -68.25 -37.71 81.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.654 ' HB3' HG21 ' A' ' 58' ' ' VAL . 3.7 m-85 -82.21 -26.33 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -78.44 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.641 ' HA ' HG12 ' A' ' 103' ' ' VAL . 1.5 mt-10 -46.99 -28.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.82 -61.86 4.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 98' ' ' PHE . 38.3 p -57.16 -26.08 59.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 0.0 110.45 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.641 HG12 ' HA ' ' A' ' 100' ' ' GLU . 4.8 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.44 164.83 15.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 0.0 109.979 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 61.41 145.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.22 -136.64 0.66 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 p -157.21 100.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.38 87.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.77 -169.03 22.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -78.31 157.7 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 0.0 110.047 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -39.87 -59.5 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.54 137.8 14.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.411 ' CB ' HG22 ' A' ' 30' ' ' VAL . 89.9 p -159.5 122.66 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.495 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 177.81 149.94 8.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.616 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 34.9 m-85 -60.66 135.7 57.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.657 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 2.1 mt -137.7 178.24 7.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -119.52 116.0 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -91.5 143.66 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -152.81 157.74 41.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.63 19.67 15.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.73 -170.88 22.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.5 m -79.9 150.65 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.29 -0.55 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -96.38 156.05 37.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.37 20.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 98.7 m95 -77.01 161.58 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.007 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -135.79 114.35 11.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.616 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 19.2 t-160 -79.76 108.85 13.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.57 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mt -141.43 165.7 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.495 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.6 t-105 -102.19 141.15 35.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.014 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -133.08 156.39 47.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 11' ' ' SER . 29.4 t -150.18 152.97 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.9 mt -114.24 110.9 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.493 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 14.5 ttpp -138.19 140.56 39.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 51.9 25.38 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 68.39 30.33 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' C ' ' A' ' 51' ' ' GLN . 96.2 t -122.36 137.47 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.767 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.0 tm? -92.09 97.92 11.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.521 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 48.9 m-85 -85.33 150.48 24.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.1 m -106.93 145.62 32.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.468 ' CD1' ' CG ' ' A' ' 44' ' ' ASP . 55.5 m-85 -145.12 -172.55 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.894 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -132.31 -46.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.42 148.29 51.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -55.81 -40.32 72.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.34 43.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.468 ' CG ' ' CD1' ' A' ' 39' ' ' TYR . 2.2 p30 -70.8 166.91 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.32 -20.77 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.13 147.32 7.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -69.05 140.1 54.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.894 HD11 ' HB2' ' A' ' 40' ' ' ALA . 48.3 mt -67.52 -40.34 85.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -150.29 166.6 29.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.521 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -142.03 128.17 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.478 ' C ' HG13 ' A' ' 35' ' ' VAL . 3.6 mm100 -140.62 122.32 9.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 146.03 32.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 36' ' ' LEU . 9.6 mt -92.75 36.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.23 103.97 16.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.29 -20.22 45.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -67.59 176.35 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -150.39 171.12 17.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.07 155.97 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -165.2 153.51 11.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.821 HD23 HD11 ' A' ' 95' ' ' ILE . 1.4 tm? -78.28 144.87 35.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.648 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.2 p -124.0 140.72 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -58.74 -53.11 62.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' OD2' HG11 ' A' ' 70' ' ' VAL . 6.8 t0 59.21 171.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -107.07 -39.86 5.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.64 -51.33 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.507 ' HB2' HG12 ' A' ' 70' ' ' VAL . 3.7 m -113.91 172.86 6.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -113.96 -30.69 6.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.659 ' HA ' HD11 ' A' ' 60' ' ' LEU . 2.0 t -161.85 35.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -120.33 6.12 10.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 83' ' ' PHE . 2.2 p -136.17 137.09 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' HD1' HG23 ' A' ' 91' ' ' THR . 1.7 p90 -125.29 177.98 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -130.3 143.49 50.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.654 HD23 ' HD2' ' A' ' 80' ' ' PHE . 50.8 tp -95.46 101.66 13.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -84.14 147.97 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 34.3 t-80 -137.03 96.4 3.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 84.12 -6.65 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 132.93 -23.16 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.3 ptm -94.44 143.81 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.8 124.7 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.654 ' HD2' HD23 ' A' ' 73' ' ' LEU . 20.4 t80 -91.45 -41.04 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 18.4 m-85 -167.43 156.55 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.1 t -95.65 160.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 70' ' ' VAL . 58.3 m-85 -153.91 128.63 9.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -109.6 133.59 52.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.807 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -103.9 155.63 18.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.81 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -113.88 -176.51 2.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.08 83.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -49.77 51.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.553 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.4 m -57.56 -57.33 13.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.807 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 60.2 m -39.26 -57.27 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -48.66 -46.78 40.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 97' ' ' ALA . 5.2 mtm180 -56.58 -57.67 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.657 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 64.2 m95 -54.92 -45.84 74.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.821 HD11 HD23 ' A' ' 60' ' ' LEU . 32.4 mt -53.66 -70.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -51.96 -34.58 42.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' ARG . . . -63.19 -38.79 92.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.63 ' O ' HG23 ' A' ' 102' ' ' THR . 10.5 m-85 -82.56 -26.37 32.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.2 mm-40 -76.22 -46.31 28.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -73.52 -4.05 31.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.81 -44.16 6.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 98' ' ' PHE . 12.6 p -72.95 -33.78 66.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 99' ' ' GLN . 24.6 m -89.56 -164.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.6 t -140.87 16.24 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 94.86 156.15 31.92 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 177.87 8.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.59 1.837 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -79.35 124.64 28.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.9 p -136.19 146.7 47.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -132.58 -58.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.6 89.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.62 -110.23 0.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.21 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.46 81.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.28 -142.55 3.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.5 m -62.44 155.06 26.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -51.08 -60.49 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 tpt -133.71 136.3 44.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.428 ' CB ' HG22 ' A' ' 30' ' ' VAL . 22.6 p -172.66 133.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 162.08 147.74 5.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.491 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 41.5 m-85 -58.97 131.12 50.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 0.81 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.819 HD11 ' CE2' ' A' ' 94' ' ' TRP . 22.8 mt -133.22 148.5 52.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -95.65 107.42 19.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 1.2 ttm180 -90.88 126.29 36.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.562 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -129.04 177.24 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.975 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.67 35.78 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' OG ' ' A' ' 17' ' ' SER . . . 140.99 -162.7 26.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -91.27 -57.92 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.8 -7.11 36.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -80.19 155.88 74.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.82 41.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CE3' ' HB3' ' A' ' 17' ' ' SER . 96.1 m95 -98.09 157.93 15.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 108.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -134.08 120.64 20.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.491 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 50.0 t-80 -75.77 115.8 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.649 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mt -145.85 169.89 17.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 33.7 t-105 -115.51 143.26 45.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.481 ' HB3' HD21 ' A' ' 36' ' ' LEU . 79.8 m-85 -139.25 160.71 39.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' ILE . 13.9 t -152.01 163.46 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.476 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 42.8 mt -125.71 89.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -76.26 -102.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.771 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.1 t30 -89.14 66.71 7.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 56.33 19.49 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 33' ' ' ASN . 91.0 t -113.42 132.35 62.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 29' ' ' PHE . 1.8 tm? -86.88 97.67 10.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 20.8 m-85 -87.02 135.67 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.569 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 7.2 m -90.78 140.86 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 46.1 m-85 -140.43 -171.49 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.751 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -135.18 -46.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.35 160.48 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' A' ' 28' ' ' TRP . 77.3 p -54.33 -46.84 72.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.95 59.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -64.6 143.78 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.9 m -59.29 -32.12 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.37 163.82 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 38' ' ' THR . . . -85.26 147.89 26.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 40' ' ' ALA . 32.1 mt -71.04 -41.48 70.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -150.24 171.99 16.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -140.8 142.98 34.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.438 ' C ' HG13 ' A' ' 35' ' ' VAL . 34.8 tp60 -158.37 125.84 2.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 131.57 14.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 98' ' ' PHE . 5.5 mt -68.19 -32.99 73.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.537 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -46.5 111.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' HD13 ' A' ' 54' ' ' LEU . . . 116.03 -38.9 2.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -71.39 -173.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.5 m -152.84 167.19 29.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.609 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.55 156.89 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 t -164.3 151.95 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.361 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.784 HD23 HD11 ' A' ' 95' ' ' ILE . 2.7 tm? -76.69 142.03 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.503 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.3 p -123.99 148.14 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -72.6 -69.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.8 t0 71.52 156.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -90.22 -21.34 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -82.39 -48.35 11.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.4 -175.2 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -130.29 -44.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 t -151.59 34.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -123.44 17.27 9.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 83' ' ' PHE . 2.1 p -149.18 140.98 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -128.78 174.63 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -127.62 145.61 50.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 98' ' ' PHE . 48.0 tp -95.0 97.98 10.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -81.54 145.78 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -137.4 112.73 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp 68.61 8.65 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.33 2.56 35.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.19 132.27 55.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 0.752 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -54.67 134.4 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.454 ' HD2' HD23 ' A' ' 73' ' ' LEU . 78.6 t80 -112.31 -30.39 7.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CE2' ' NH1' ' A' ' 16' ' ' ARG . 2.4 m-85 -170.9 158.5 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.94 157.07 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 70.3 m-85 -151.73 122.52 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -102.68 145.43 29.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.579 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -106.39 158.04 17.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -51.56 37.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -117.08 -179.92 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.75 -57.02 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -47.13 -41.23 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 93' ' ' ARG . 22.9 m -56.3 -60.92 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.579 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -39.89 -50.94 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -54.64 -43.67 72.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 6.5 mtm180 -59.29 -48.01 83.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.819 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.3 m95 -63.42 -48.78 76.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 108.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.784 HD11 HD23 ' A' ' 60' ' ' LEU . 32.2 mt -50.57 -68.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.8 -40.45 60.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -57.94 -49.72 75.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CB ' HG21 ' A' ' 58' ' ' VAL . 3.4 m-85 -68.25 -45.94 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.57 ' O ' HG22 ' A' ' 103' ' ' VAL . 25.7 mm-40 -60.65 -59.28 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 16.9 mt-10 -55.55 -24.9 34.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.65 -54.48 7.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.1 p -56.13 -35.22 66.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.371 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 99' ' ' GLN . 34.8 m -90.82 -166.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.1 t -135.41 17.78 3.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.39 -177.66 54.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 81.98 2.1 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.7 m 52.7 88.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -112.76 -57.64 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.13 -58.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.91 169.07 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.68 -178.36 16.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 p -139.35 169.7 17.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 110.019 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 m -148.09 -53.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.73 -100.05 1.08 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m -49.08 155.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.2 p -63.13 -56.22 18.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.52 150.27 8.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 p -178.4 148.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.49 161.57 9.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 49.6 m-85 -66.85 134.33 51.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.775 HD11 ' CE2' ' A' ' 94' ' ' TRP . 51.7 mt -136.08 152.62 51.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.455 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 27.8 m-85 -94.95 113.21 24.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -93.14 139.9 30.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.497 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -142.65 168.17 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -104.48 22.17 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.1 -157.99 20.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 m -87.55 149.9 24.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 0.806 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm 76.88 1.23 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -99.69 156.14 35.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 153.31 41.72 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.497 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.5 m95 -91.41 158.3 16.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HE2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -135.43 120.01 18.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.651 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 33.8 t-80 -79.4 108.62 13.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.559 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.51 HD11 ' HE2' ' A' ' 25' ' ' LYS . 5.0 mt -136.18 169.76 17.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -109.16 130.37 55.49 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.78 135.71 48.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.2 t -128.77 154.69 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.2 mt -116.03 88.96 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -117.33 140.85 49.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.4 t-20 51.61 41.33 28.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.62 21.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 33' ' ' ASN . 96.2 t -116.05 127.59 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.7 tm? -82.22 94.63 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.526 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 52.4 m-85 -80.52 152.09 28.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.5 m -106.56 139.55 40.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 56.0 m-85 -143.63 -176.92 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -130.23 -46.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.07 165.27 12.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.4 p -70.67 -48.94 52.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -101.64 46.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.517 ' OD2' ' CD1' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -58.02 170.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -17.27 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -164.26 150.53 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -78.13 141.69 38.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 40' ' ' ALA . 45.2 mt -67.88 -39.5 83.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -152.65 167.78 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.526 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 1.4 p -142.23 119.69 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.687 ' C ' HG13 ' A' ' 35' ' ' VAL . 3.0 mm100 -134.71 132.12 20.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 130.13 13.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.767 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.754 ' O ' HG22 ' A' ' 102' ' ' THR . 14.8 mt -67.14 -20.99 65.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 55' ' ' GLY . 5.1 tt -59.84 127.17 30.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.522 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 101.43 -42.42 1.92 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' C ' ' OG1' ' A' ' 57' ' ' THR . 39.8 m-85 -64.51 -177.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 2.7 m -153.86 170.3 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.546 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -147.36 158.5 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -163.51 141.77 7.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.446 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 95' ' ' ILE . 3.3 tm? -71.35 139.26 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.524 HG11 ' HG3' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -123.84 137.64 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -43.55 88.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 t70 52.46 176.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.56 -18.46 13.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.46 -42.72 29.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.34 -170.54 2.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -117.41 -36.35 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 t -163.56 30.47 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HA ' ' OG1' ' A' ' 91' ' ' THR . 0.1 OUTLIER -113.13 18.03 18.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.44 ' O ' HD22 ' A' ' 60' ' ' LEU . 2.5 p -146.33 143.17 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -132.69 177.75 7.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.524 ' HG3' HG11 ' A' ' 61' ' ' VAL . 32.7 mt-30 -128.76 145.67 51.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.549 HD13 ' CE1' ' A' ' 98' ' ' PHE . 29.2 tp -93.47 92.96 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.726 HD23 ' C ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -78.77 153.27 30.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 14.7 t-80 -137.12 104.7 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 75.38 -55.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.76 35.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.726 ' C ' HD23 ' A' ' 74' ' ' LEU . 1.3 ptt? -156.78 146.17 20.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.737 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.98 139.37 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 41.8 t80 -115.56 -35.49 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.426 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 3.8 m-85 -167.79 157.39 10.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 83' ' ' PHE . 46.8 t -101.75 160.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.402 ' N ' HG12 ' A' ' 82' ' ' VAL . 61.8 m-85 -152.47 124.67 8.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.693 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -93.71 158.84 15.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.72 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -129.7 150.16 51.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.77 -66.68 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.31 -178.63 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -59.61 -59.16 5.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -40.53 -53.69 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.634 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 m -51.27 -59.44 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.726 HG22 HD11 ' A' ' 95' ' ' ILE . 10.5 m -39.31 -58.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -47.12 -43.39 20.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -60.77 -54.26 47.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.775 ' CE2' HD11 ' A' ' 14' ' ' LEU . 75.8 m95 -58.67 -52.85 63.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.726 HD11 HG22 ' A' ' 91' ' ' THR . 72.5 mt -45.4 -66.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -47.22 70.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 -38.46 37.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.549 ' CE1' HD13 ' A' ' 73' ' ' LEU . 4.4 m-85 -78.92 -36.1 42.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.675 ' O ' HG22 ' A' ' 103' ' ' VAL . 21.8 mm-40 -67.27 -55.49 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.406 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 1.5 mt-10 -60.03 -32.14 70.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.51 -57.95 14.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.754 HG22 ' O ' ' A' ' 53' ' ' LEU . 40.5 p -54.72 -41.72 70.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.6 m -88.52 -164.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 t -127.49 14.63 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.521 ' H ' HG23 ' A' ' 103' ' ' VAL . . . 82.35 177.14 51.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -40.82 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 p -155.61 109.36 2.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.5 p -82.02 -33.93 29.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m 62.04 81.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 110.045 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -110.45 121.26 44.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.89 -94.35 0.98 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 t -164.86 122.61 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -140.3 -58.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.051 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.67 -108.97 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.0 m -75.71 166.45 23.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.5 m -72.46 -56.36 5.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 tpt -153.09 136.34 15.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.41 ' CB ' HG22 ' A' ' 30' ' ' VAL . 91.1 p -171.84 145.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.551 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 159.47 153.33 6.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.589 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 56.1 m-85 -61.3 128.14 34.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.795 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 7.9 mt -130.38 153.83 48.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -96.59 110.1 22.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -90.81 135.3 33.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -142.79 157.24 44.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.83 18.35 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.99 -165.72 23.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 m -79.4 170.97 15.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.039 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm 52.06 24.11 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -120.58 156.15 56.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.95 22.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.5 m95 -79.86 136.27 36.65 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -108.53 115.11 29.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.589 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 6.7 t-80 -79.44 106.6 11.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -137.62 167.21 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.551 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 55.2 t-105 -105.39 142.91 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.523 ' CD1' HD11 ' A' ' 36' ' ' LEU . 99.3 m-85 -138.39 149.27 45.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 11' ' ' SER . 8.8 t -139.24 155.34 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -112.94 93.65 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 37' ' ' TYR . 15.8 ttpt -122.33 132.04 54.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.745 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.4 t30 54.22 38.6 29.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.21 25.14 10.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 33' ' ' ASN . 59.5 t -116.59 130.98 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.0 tm? -89.0 93.53 9.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 46.3 m-85 -79.22 149.95 31.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.2 m -100.4 142.47 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 55.2 m-85 -146.9 177.43 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -127.34 -45.13 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.98 150.83 27.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -43.42 -60.71 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.05 53.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -54.02 146.02 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -54.01 -35.05 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.84 176.63 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -90.16 145.53 24.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' A' ' 40' ' ' ALA . 39.1 mt -74.71 -39.57 61.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -151.07 173.47 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.7 131.8 26.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -143.8 115.84 5.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.0 146.69 32.96 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mt -93.08 39.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.13 108.09 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.42 -26.65 14.63 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.562 1.164 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.409 ' C ' ' OG1' ' A' ' 57' ' ' THR . 44.7 m-85 -58.08 178.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.409 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 3.7 m -154.86 169.85 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -141.93 159.67 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 1.3 t -171.45 159.91 5.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.884 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -77.86 143.1 38.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.884 ' N ' HD13 ' A' ' 60' ' ' LEU . 5.8 p -120.02 149.94 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -107.79 104.32 13.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.95 159.38 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -23.37 67.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -92.91 -50.31 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.509 ' OG ' HG11 ' A' ' 70' ' ' VAL . 15.8 p -130.08 137.37 50.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 68' ' ' SER . 5.4 pt-20 -142.07 58.84 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER 158.72 -25.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 10.2 mttt -103.81 4.83 35.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 83' ' ' PHE . 7.0 p -127.48 140.54 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -129.64 177.55 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -131.31 143.96 50.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.546 HD23 ' HD2' ' A' ' 80' ' ' PHE . 64.3 tp -93.87 99.0 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -82.81 147.16 28.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.444 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 59.6 t60 -137.13 97.62 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.625 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 1.4 mtmp? 83.58 -2.95 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.471 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 128.55 -23.08 5.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.29 148.22 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.6 t -73.8 127.67 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.546 ' HD2' HD23 ' A' ' 73' ' ' LEU . 35.5 t80 -98.02 -38.28 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 6.1 m-85 -164.21 158.85 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.0 t -100.53 159.93 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 70' ' ' VAL . 50.5 m-85 -152.62 128.21 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -113.03 131.83 55.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.803 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -101.95 154.88 18.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -74.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -99.12 -179.26 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -78.62 -53.45 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -37.82 6.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -64.29 -54.07 39.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.803 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 16.6 m -41.33 -51.6 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -54.43 -46.01 73.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 6.5 mtm180 -56.5 -43.66 79.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.795 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 27.9 m95 -70.04 -49.62 49.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.011 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.425 HD11 HD23 ' A' ' 60' ' ' LEU . 31.1 mt -50.76 -68.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -50.62 -41.63 55.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -56.03 -42.68 76.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.477 ' CB ' HG21 ' A' ' 58' ' ' VAL . 16.8 m-85 -77.82 -39.45 43.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.579 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.0 mm-40 -62.39 -48.07 81.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.491 ' HA ' HG22 ' A' ' 103' ' ' VAL . 2.6 mt-10 -69.08 -9.56 53.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.29 -41.71 7.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 98' ' ' PHE . 60.1 p -74.27 -33.0 63.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 0.809 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.2 m -90.3 -164.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.8 t -132.01 12.14 4.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 103.86 156.91 24.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -57.1 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.58 1.831 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 m -61.65 151.83 32.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -103.5 93.77 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.97 124.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.37 -58.27 2.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.9 115.5 0.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -120.84 125.39 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.998 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -136.93 133.97 36.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.25 -88.89 1.06 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.6 m -97.78 144.92 26.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 m -49.58 -49.18 47.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.557 ' HB2' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -158.48 153.53 25.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 p -172.46 125.4 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.59 149.98 7.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -59.47 127.99 34.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.984 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 2.4 mt -138.25 139.99 39.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 23.8 m-85 -83.12 114.83 21.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 82' ' ' VAL . 1.6 ttp180 -102.16 144.37 30.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 t -141.12 171.39 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.041 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 16.02 26.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.82 -159.49 23.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 m -85.83 151.12 24.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 80.25 -3.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -96.88 156.13 36.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 152.18 40.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -91.31 141.76 28.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 108.029 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -139.33 108.49 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -72.46 143.59 48.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.659 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -150.02 168.12 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.539 ' CE2' ' HA ' ' A' ' 42' ' ' SER . 74.7 t-105 -96.6 126.18 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.443 ' HB3' HD21 ' A' ' 36' ' ' LEU . 83.2 m-85 -126.26 145.29 50.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -141.88 121.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.557 HD12 ' HB2' ' A' ' 10' ' ' MET . 95.7 mt -89.11 89.91 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.82 96.72 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.11 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -143.81 17.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 86.9 t -116.15 134.09 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.835 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.8 tm? -99.91 96.51 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 43.4 m-85 -86.55 140.96 29.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.3 m -95.02 150.33 20.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 38.7 m-85 -147.86 -170.49 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.661 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -126.97 -43.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.26 172.63 7.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.539 ' HA ' ' CE2' ' A' ' 28' ' ' TRP . 2.4 t -62.54 -58.38 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.045 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -104.05 51.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -53.14 175.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -16.78 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -167.52 145.04 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -71.17 141.41 50.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 40' ' ' ALA . 72.0 mt -70.48 -39.13 74.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -153.91 169.32 23.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -142.36 127.46 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -144.71 124.65 7.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.499 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.03 148.63 35.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.835 HD21 ' HB2' ' A' ' 36' ' ' LEU . 1.8 mt -92.98 30.25 1.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -87.67 113.83 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.571 ' N ' HD22 ' A' ' 54' ' ' LEU . . . 95.67 -34.5 4.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 52' ' ' PRO . 51.5 m-85 -52.59 179.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -154.06 171.56 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.553 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -144.62 150.63 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -157.96 156.05 30.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.899 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.1 tm? -87.22 143.49 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.899 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -122.9 140.58 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -36.04 75.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.453 ' HB2' HG11 ' A' ' 70' ' ' VAL . 25.3 t0 52.51 177.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.57 -16.77 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -89.75 -54.64 3.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.88 -168.91 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -130.43 -44.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.655 ' HA ' HD11 ' A' ' 60' ' ' LEU . 8.2 t -146.97 31.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HG2' ' HB2' ' A' ' 88' ' ' ALA . 11.0 mttt -124.31 25.48 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' A' ' 63' ' ' ASP . 6.4 p -149.82 140.14 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.1 p90 -135.22 177.97 7.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -133.57 146.24 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.635 HD23 ' HD2' ' A' ' 80' ' ' PHE . 49.2 tp -93.75 98.96 11.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.36 147.59 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 43.9 t60 -137.52 109.09 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt 67.83 9.27 7.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.53 -18.31 20.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.83 133.99 42.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.19 138.21 19.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.635 ' HD2' HD23 ' A' ' 73' ' ' LEU . 19.2 t80 -108.8 -39.39 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-85 -170.62 166.98 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 13.7 t -103.05 161.49 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 75.5 m-85 -153.89 126.14 7.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 140.47 39.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -107.42 156.79 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.38 -60.03 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.45 -176.96 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . . . -69.45 -60.53 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -39.56 -40.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' THR . 3.7 m -61.3 -55.38 32.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.682 HG22 HD12 ' A' ' 95' ' ' ILE . 16.5 m -37.64 -54.04 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.33 -47.89 82.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 10.0 mtm180 -52.49 -49.04 65.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.984 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.7 m95 -65.54 -50.51 64.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.033 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.682 HD12 HG22 ' A' ' 91' ' ' THR . 26.1 mt -50.94 -66.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.81 -38.7 61.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -62.09 -31.0 71.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.553 ' CB ' HG21 ' A' ' 58' ' ' VAL . 6.3 m-85 -85.28 -33.16 22.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.673 ' O ' HG22 ' A' ' 103' ' ' VAL . 21.2 mm-40 -69.0 -55.54 10.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -44.38 -39.71 4.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.1 -65.89 3.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.3 p -50.31 -44.23 54.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.697 HG23 ' H ' ' A' ' 105' ' ' GLY . 17.5 m -82.9 -161.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.7 t -127.81 13.14 6.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.697 ' H ' HG23 ' A' ' 103' ' ' VAL . . . 80.31 -161.36 44.96 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 164.28 33.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.3 m -106.49 106.84 17.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 m -89.39 -57.57 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.553 1.158 . . . . 0.0 111.063 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 m -150.31 -56.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -176.95 168.45 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.8 -171.54 46.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -135.13 126.17 27.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.042 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -98.36 82.68 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.962 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.6 -126.46 7.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -56.98 150.57 16.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 110.032 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.3 m -60.71 -58.23 9.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 tpt -149.2 123.71 9.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.2 p -161.08 160.87 30.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.543 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 141.47 167.13 11.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.16 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.634 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 23.6 m-85 -75.46 130.81 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.726 HD11 ' CE2' ' A' ' 94' ' ' TRP . 26.1 mt -132.29 151.56 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -97.89 114.98 27.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -99.88 112.53 24.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 2.1 t -107.23 167.46 9.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 30.56 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.532 ' O ' HG21 ' A' ' 82' ' ' VAL . . . 156.14 -137.85 5.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB2' ' CE ' ' A' ' 21' ' ' LYS . 14.7 m -105.66 -71.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER -76.8 2.92 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -69.93 156.06 92.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 126.05 9.75 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 76.3 m95 -70.23 166.23 20.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -136.1 107.64 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.634 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 6.7 t-80 -66.12 110.39 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.642 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -137.09 167.98 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 73.3 t-105 -107.65 139.68 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.029 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.5 154.43 50.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -149.94 141.16 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.4 mt -104.37 97.75 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -123.35 136.29 54.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.542 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.7 t30 55.4 33.8 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.16 21.52 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 33' ' ' ASN . 63.4 t -115.18 131.1 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.671 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.0 tm? -87.99 91.8 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.495 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 52.9 m-85 -79.26 146.08 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 m -100.86 155.73 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 73.7 m-85 -157.43 -176.58 6.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.696 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -124.7 -45.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.51 155.9 43.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -62.88 -41.5 99.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.96 30.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' CG ' ' CD1' ' A' ' 39' ' ' TYR . 1.7 p30 -55.7 165.13 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.39 -18.58 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.98 154.2 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -78.54 137.81 38.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 40' ' ' ALA . 45.0 mt -66.35 -40.26 89.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -149.52 166.89 27.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.495 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -141.44 121.13 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.496 ' C ' HG13 ' A' ' 35' ' ' VAL . 10.8 tp60 -134.99 125.55 17.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.79 7.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.492 ' O ' HG22 ' A' ' 102' ' ' THR . 12.4 mt -55.61 -25.25 37.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 54' ' ' LEU . 1.1 tm? -56.74 115.29 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.553 ' N ' HD13 ' A' ' 54' ' ' LEU . . . 109.36 -34.81 5.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.474 ' CE2' ' ND1' ' A' ' 75' ' ' HIS . 48.4 m-85 -77.09 -179.68 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 58' ' ' VAL . 3.0 m -151.45 175.7 12.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -147.04 157.13 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.4 t -161.79 152.5 17.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.6 tm? -77.43 143.12 38.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.869 ' N ' HD13 ' A' ' 60' ' ' LEU . 1.8 p -124.0 143.77 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.227 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -76.7 -58.95 2.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 65.34 168.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.57 -21.4 18.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -88.53 -56.85 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.6 m -95.15 -176.49 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -134.17 -44.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.648 ' HA ' HD11 ' A' ' 60' ' ' LEU . 7.2 m -156.57 32.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -123.63 25.21 8.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.657 HG13 HG13 ' A' ' 61' ' ' VAL . 4.1 p -152.53 148.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 8.6 p90 -138.55 173.18 11.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.12 145.95 49.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 98' ' ' PHE . 49.9 tp -95.38 97.73 10.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -79.98 146.31 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.576 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 82.9 t60 -137.19 94.94 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.576 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 82.2 13.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 110.96 -25.5 14.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.7 mtm -88.41 144.22 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.4 t -75.23 133.9 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -98.92 -47.54 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -159.11 173.98 15.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 19' ' ' GLY . 5.3 t -115.11 121.48 67.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 76.8 m-85 -113.57 122.91 48.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -103.2 141.04 36.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -106.26 150.5 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.0 -71.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -116.62 -175.71 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -53.86 51.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -45.13 -58.09 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 m -45.52 -55.92 5.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.909 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 28.6 m -44.56 -62.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -44.34 -57.83 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.72 -64.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.726 ' CE2' HD11 ' A' ' 14' ' ' LEU . 59.2 m95 -48.08 -52.96 18.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.644 HD11 HD23 ' A' ' 60' ' ' LEU . 56.1 mt -46.32 -59.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -57.38 -46.55 83.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.39 -34.73 64.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.672 ' O ' HG23 ' A' ' 102' ' ' THR . 2.8 m-85 -81.1 -28.29 35.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.6 mm-40 -78.54 -54.92 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 103' ' ' VAL . 47.7 mt-10 -58.93 -35.29 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.18 -48.07 74.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 98' ' ' PHE . 17.8 p -63.82 -40.42 96.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 99' ' ' GLN . 19.7 m -86.33 -162.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.6 t -144.36 17.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -56.14 -174.15 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.3 t -90.82 -58.7 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.06 86.11 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 110.05 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.41 158.67 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 p -142.78 167.89 21.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.57 173.59 34.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.67 140.3 32.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.85 130.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.43 -88.29 0.11 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -48.64 147.81 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -41.3 -61.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 tpt -155.87 119.48 4.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 p -145.04 154.81 42.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.482 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 152.1 136.95 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.413 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 56.2 m-85 -51.23 134.29 27.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.681 HD11 ' CE2' ' A' ' 94' ' ' TRP . 78.8 mt -136.19 156.17 49.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.529 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 26.5 m-85 -98.83 114.55 27.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -92.34 138.19 31.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -144.51 160.17 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -114.26 41.63 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.33 -174.73 21.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -75.21 -56.5 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 0.797 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -79.87 50.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -130.67 155.85 80.66 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.77 41.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 96.6 m95 -93.41 131.61 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HB3' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -110.93 114.02 27.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 3.1 t-160 -79.46 106.96 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 25' ' ' LYS . 1.6 mt -137.79 169.47 17.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.482 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 56.3 t-105 -104.94 142.81 34.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 108.024 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.83 153.46 49.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 31' ' ' ILE . 46.6 t -142.48 167.89 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.525 ' N ' HG12 ' A' ' 30' ' ' VAL . 52.4 mt -130.2 89.3 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 3.9 ttmt -113.05 129.23 56.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 62.89 24.77 14.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.85 6.34 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 82.5 t -98.35 131.77 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.7 tm? -85.17 94.42 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 57.6 m-85 -81.3 142.53 33.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 48' ' ' LEU . 1.9 m -97.53 149.15 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 68.6 m-85 -151.26 177.21 10.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.857 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -125.12 -44.55 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.97 152.33 28.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -45.22 -52.87 8.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -114.18 54.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -57.1 146.17 28.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.31 -33.64 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -161.44 176.29 11.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.05 139.76 30.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 40' ' ' ALA . 46.1 mt -69.67 -41.97 74.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -147.54 169.27 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.16 135.39 30.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 45.9 tp60 -152.99 123.31 3.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.95 144.75 30.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.741 ' O ' HG22 ' A' ' 102' ' ' THR . 7.0 mt -91.36 40.82 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.47 ' C ' HD23 ' A' ' 54' ' ' LEU . 7.3 tt -96.67 124.1 40.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.44 -11.62 58.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 75' ' ' HIS . 27.8 m-85 -79.44 -179.95 7.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 m -152.89 170.55 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.09 151.55 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.458 ' CG2' HD11 ' A' ' 74' ' ' LEU . 4.0 t -161.31 148.72 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.952 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.7 tm? -73.42 143.09 46.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.952 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -123.84 136.17 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 102.84 14.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -95.62 168.79 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -81.98 -49.7 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -66.56 -54.18 26.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.94 167.56 10.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -105.38 -97.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.593 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -101.52 35.32 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -106.59 -0.24 23.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.5 146.11 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.4 p90 -134.94 177.75 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 82' ' ' VAL . 20.1 mt-30 -131.43 142.54 50.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 tp -93.96 96.19 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -79.87 147.56 31.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 30.7 t60 -136.94 96.45 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 2.8 mtmp? 81.01 2.91 1.64 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 123.89 -26.0 6.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mtp -88.25 146.16 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.479 HG11 ' OE1' ' A' ' 72' ' ' GLN . 42.3 t -75.71 128.57 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -95.74 -40.78 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -161.96 167.69 24.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.626 HG22 ' HG2' ' A' ' 72' ' ' GLN . 40.2 t -117.85 116.68 52.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 59.6 m-85 -108.08 123.68 49.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.94 133.87 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.623 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -108.64 148.04 30.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.67 -65.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -88.8 168.18 12.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.24 -55.17 5.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -40.21 -54.86 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -46.76 -53.18 12.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.623 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 29.1 m -44.15 -60.0 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -53.39 -45.75 69.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 9.9 mtm180 -55.5 -49.99 71.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.681 ' CE2' HD11 ' A' ' 14' ' ' LEU . 39.9 m95 -64.21 -49.12 73.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 107.986 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.537 HG23 ' CG1' ' A' ' 58' ' ' VAL . 70.7 mt -53.24 -66.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -37.74 56.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -64.49 -37.39 87.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.551 ' HB3' HG21 ' A' ' 58' ' ' VAL . 11.1 m-85 -81.47 -22.38 38.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -82.47 -39.07 23.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.553 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER -78.48 -12.95 60.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.1 -60.72 4.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 53' ' ' LEU . 80.4 p -50.86 -36.86 39.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 110.43 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.553 HG22 ' HA ' ' A' ' 100' ' ' GLU . 20.9 m -86.91 -162.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.2 m -165.77 95.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -40.97 157.33 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 67.47 5.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.7 p -63.46 136.43 57.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.1 t -134.49 -59.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -162.51 150.21 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.37 122.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.95 -172.02 13.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.36 134.16 37.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.87 143.11 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.76 127.44 8.81 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.6 m 63.13 170.24 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 0.743 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.5 m -64.82 -55.18 21.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.64 151.88 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p -168.58 142.91 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.94 161.36 10.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -75.29 129.6 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.892 HD11 ' CE2' ' A' ' 94' ' ' TRP . 5.0 mt -134.94 144.9 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 15.4 m-85 -82.96 116.55 22.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.21 124.31 47.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.477 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 42.5 t -119.66 178.94 4.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.85 26.85 9.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.23 -145.03 13.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -95.2 -67.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mtmm -75.64 53.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -130.7 156.03 80.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.8 20.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 98.7 m95 -83.37 145.26 29.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -138.02 107.27 6.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -73.45 98.9 2.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.65 169.02 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -101.01 137.05 39.89 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' HB3' HD21 ' A' ' 36' ' ' LEU . 94.8 m-85 -137.92 145.73 42.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.2 t -137.67 123.52 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -88.81 92.59 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -117.12 136.57 52.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 54.12 30.66 12.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.83 22.6 11.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.592 HG13 ' C ' ' A' ' 51' ' ' GLN . 84.7 t -115.91 127.33 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' A' ' 29' ' ' PHE . 2.9 tm? -82.13 96.84 7.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -85.66 133.07 34.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.0 m -88.94 149.85 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 49.1 m-85 -149.51 -172.48 4.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.78 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -131.25 -45.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.44 172.25 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 t -63.39 -48.91 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -115.96 61.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -69.59 142.73 53.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.085 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -52.28 -29.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -164.03 175.68 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.47 146.15 26.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 40' ' ' ALA . 30.0 mt -71.93 -38.02 69.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -152.09 168.4 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.83 136.5 35.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.045 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.592 ' C ' HG13 ' A' ' 35' ' ' VAL . 1.5 mm-40 -155.6 128.42 4.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.471 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.98 128.44 11.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.585 ' O ' HG22 ' A' ' 102' ' ' THR . 38.4 mt -67.49 -12.77 61.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 55' ' ' GLY . 3.1 tt -65.67 130.33 42.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 94.37 -26.69 16.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.59 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 25.4 m-85 -82.83 -177.33 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.524 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.4 m -154.05 176.59 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.367 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.626 HG21 ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.19 155.95 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -162.32 156.95 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.86 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -83.32 144.33 29.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.86 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -120.9 145.34 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 73.77 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.548 ' HB2' HG11 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -53.16 179.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -37.69 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -119.4 -40.45 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 67' ' ' GLU . 14.6 m -39.47 102.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 66' ' ' SER . 17.6 mt-10 -46.12 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.729 ' HA ' HD11 ' A' ' 60' ' ' LEU . 2.7 m -124.47 72.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -130.36 6.78 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.671 HG13 HG13 ' A' ' 61' ' ' VAL . 7.4 p -138.73 142.04 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.5 p90 -135.81 169.01 18.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.645 ' HG2' HG22 ' A' ' 82' ' ' VAL . 29.4 mt-30 -122.88 150.35 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 57' ' ' THR . 57.1 tp -97.83 96.25 8.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.418 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -78.82 148.35 32.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 25.3 t-80 -137.13 95.0 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 2.7 mtmp? 82.98 -5.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.418 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 132.89 -22.55 4.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.3 mtt -94.64 141.56 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 0.796 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.25 137.74 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.472 ' HD2' HD23 ' A' ' 73' ' ' LEU . 20.9 t80 -106.98 -43.15 4.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -162.95 156.15 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.645 HG22 ' HG2' ' A' ' 72' ' ' GLN . 14.0 t -100.01 155.74 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.517 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 91.4 m-85 -148.14 132.29 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -111.1 145.26 38.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.8 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -114.69 154.95 27.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -67.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -119.91 -169.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.66 -44.62 63.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -51.9 -54.47 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.577 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.1 m -51.83 -57.78 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.8 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -40.39 -58.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -48.8 -51.35 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -52.06 -54.05 34.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.892 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.5 m95 -59.86 -51.16 70.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.029 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.723 HD11 HD23 ' A' ' 60' ' ' LEU . 17.1 mt -47.43 -68.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.9 -44.25 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.81 -30.89 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.698 ' O ' HG23 ' A' ' 102' ' ' THR . 1.9 m-85 -86.92 -27.33 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.561 ' O ' HG22 ' A' ' 103' ' ' VAL . 14.4 mm-40 -77.73 -53.17 7.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.455 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -56.74 -32.05 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.54 -50.92 45.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 98' ' ' PHE . 45.3 p -60.49 -39.77 88.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.4 m -87.4 -164.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.1 t -147.11 18.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.12 -168.57 25.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 102.88 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.3 t -44.57 -62.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.19 164.89 26.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.973 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -60.38 -56.85 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.59 -57.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.16 64.87 0.53 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -105.42 155.89 18.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 0.803 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -82.56 150.51 26.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.046 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.32 -151.34 17.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.5 m -73.48 161.65 30.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -47.99 -52.0 21.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.19 137.22 10.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 111.027 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.1 p -149.51 170.45 18.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.46 143.32 5.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -48.27 140.35 7.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.91 171.65 12.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.411 ' CD1' ' ND1' ' A' ' 26' ' ' HIS . 23.4 m-85 -125.78 105.17 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -92.38 136.83 32.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 t -138.64 178.75 6.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.65 26.05 9.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.98 -167.26 29.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -86.27 -47.33 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.746 . . . . 0.0 110.008 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -85.86 40.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -127.81 155.71 76.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.75 30.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -86.67 137.47 32.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -107.94 102.83 11.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.411 ' ND1' ' CD1' ' A' ' 15' ' ' TYR . 1.9 m-70 -63.21 102.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -130.42 170.57 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -109.87 140.59 43.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 108.018 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -141.05 143.69 34.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -134.55 140.95 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 31' ' ' ILE . 64.7 mt -103.24 89.43 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -77.73 100.74 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.24 -79.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' LYS . 29.3 mttt -143.37 17.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 92.5 t -115.26 122.49 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.6 tm? -90.74 95.29 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 43.2 m-85 -82.81 159.23 22.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 48' ' ' LEU . 6.2 m -106.7 157.94 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.548 ' O ' HD23 ' A' ' 27' ' ' LEU . 59.1 m-85 -157.45 -179.03 7.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.871 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -124.78 -44.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.48 176.44 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.1 p -63.8 -54.99 26.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -112.74 61.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.29 143.68 57.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -29.8 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.36 164.74 17.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -75.53 148.51 38.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.871 HD11 ' HB2' ' A' ' 40' ' ' ALA . 39.4 mt -76.61 -38.5 54.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -152.7 170.51 20.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -139.07 130.4 26.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -150.04 123.53 4.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.04 156.39 42.79 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.472 1.775 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 36' ' ' LEU . 3.6 mt -97.15 30.62 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.433 ' C ' HD23 ' A' ' 54' ' ' LEU . 7.1 tt -88.56 123.56 33.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.22 -27.95 7.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -66.56 -177.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' LEU . 5.1 m -154.51 171.3 19.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.621 HG21 ' HB3' ' A' ' 98' ' ' PHE . 1.1 t -147.09 153.48 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -159.91 148.28 17.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.946 HD22 ' N ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -88.73 137.62 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.946 ' N ' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -119.94 130.35 74.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -37.81 86.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.9 174.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.6 -15.59 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -82.54 -39.82 21.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.62 142.57 29.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.17 -173.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.6 p -39.35 109.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HA ' ' OG1' ' A' ' 91' ' ' THR . 3.7 tttt 175.17 -35.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 83' ' ' PHE . 2.0 p -100.26 143.23 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -131.81 177.77 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.551 ' HG2' HG22 ' A' ' 82' ' ' VAL . 29.3 mt-30 -129.86 146.61 51.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.3 tp -93.86 99.25 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -82.32 147.89 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -137.2 108.05 6.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt 68.03 9.77 7.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.87 -24.37 10.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.97 134.87 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.16 135.5 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.403 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 47.2 t80 -108.51 -37.23 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 4.1 m-85 -166.86 172.93 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.551 HG22 ' HG2' ' A' ' 72' ' ' GLN . 16.8 t -114.66 156.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 50.0 m-85 -147.97 134.54 19.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -123.79 142.99 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.26 149.15 34.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.29 -61.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.16 178.25 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.47 12.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -49.04 -30.26 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.565 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.7 m -73.05 -41.21 64.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 95' ' ' ILE . 25.2 m -45.2 -65.92 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -38.74 -53.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -50.68 -64.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -49.48 -52.08 31.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 107.998 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 91' ' ' THR . 81.7 mt -49.22 -62.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -53.36 -45.15 69.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.34 80.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.621 ' HB3' HG21 ' A' ' 58' ' ' VAL . 5.9 m-85 -73.67 -14.36 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.611 ' O ' HG22 ' A' ' 103' ' ' VAL . 37.1 mt-30 -89.81 -62.16 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -44.95 -33.95 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.72 -70.67 0.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 53' ' ' LEU . 61.3 p -43.95 -41.19 5.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 99' ' ' GLN . 27.0 m -87.73 -164.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.9 t -151.08 21.2 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.981 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.66 161.81 11.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.87 32.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.3 t -177.24 -60.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.9 t -86.68 119.24 26.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -47.07 119.83 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 109.986 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -124.7 149.23 47.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.2 -159.04 23.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m 50.02 89.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 110.027 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 p -169.37 144.4 3.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.39 -102.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.9 m -69.07 166.92 17.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.8 m -51.17 -59.24 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.4 tpt -143.58 137.33 28.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.3 p -168.31 149.26 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.568 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 150.07 137.45 2.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.649 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 36.0 m-85 -41.41 134.9 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 85' ' ' ALA . 43.3 mt -131.12 172.3 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -116.85 101.29 8.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 9.9 ttt180 -91.87 125.37 36.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.559 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 28.8 t -132.65 166.39 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -108.07 28.18 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.18 -171.52 30.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -83.74 -45.52 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -88.28 17.38 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -101.6 155.85 35.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.12 15.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 90.7 m95 -73.2 158.12 35.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -129.81 108.1 9.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.649 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 15.6 t-80 -71.89 109.77 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -140.93 170.37 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 40.4 t-105 -110.56 140.31 44.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 107.979 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -139.71 150.49 44.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.1 t -135.3 159.77 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 57.8 mt -120.54 95.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -126.09 134.47 51.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 59.92 24.89 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.23 21.21 7.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.4 t -110.75 137.26 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.2 tm? -91.48 91.01 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -79.8 153.83 28.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.0 m -105.61 152.83 22.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 69.9 m-85 -155.4 178.67 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.88 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -125.46 -45.87 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.58 165.17 12.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t -55.24 -55.43 31.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.964 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -113.88 59.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.24 146.78 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -33.47 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.74 178.18 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -83.45 142.71 30.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.88 HD11 ' HB2' ' A' ' 40' ' ' ALA . 35.6 mt -71.75 -38.67 70.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -151.76 170.37 19.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.77 140.53 45.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -155.89 114.63 2.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.437 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 148.71 35.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 36' ' ' LEU . 6.7 mt -91.21 39.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.865 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -87.95 104.32 16.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.01 -28.13 17.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE1' ' O ' ' A' ' 52' ' ' PRO . 49.3 m-85 -56.22 175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LEU . 4.0 m -154.81 169.2 24.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.688 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -140.81 154.28 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 t -161.5 124.78 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 95' ' ' ILE . 3.4 tm? -62.08 141.78 57.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.683 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -123.91 133.51 69.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -102.31 118.63 37.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -109.05 168.52 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -28.9 67.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -100.69 -58.52 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.429 ' HB2' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -91.94 134.25 34.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -133.66 129.48 36.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.693 ' HA ' HD21 ' A' ' 60' ' ' LEU . 17.7 t 41.74 32.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.034 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.91 7.42 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.431 ' O ' HD22 ' A' ' 60' ' ' LEU . 2.2 p -152.08 134.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.474 ' HD1' HG23 ' A' ' 91' ' ' THR . 4.0 p90 -125.36 175.31 7.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.441 ' HG2' HG22 ' A' ' 82' ' ' VAL . 28.6 mt-30 -126.92 152.42 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.6 HD23 ' HD2' ' A' ' 80' ' ' PHE . 32.4 tp -103.83 96.76 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -78.9 147.15 33.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -137.07 99.7 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 78.05 4.43 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 122.0 -27.44 6.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.7 142.56 27.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.2 t -70.34 134.04 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.6 ' HD2' HD23 ' A' ' 73' ' ' LEU . 13.4 t80 -99.21 -42.31 7.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 11.7 m-85 -165.98 160.3 16.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.441 HG22 ' HG2' ' A' ' 72' ' ' GLN . 11.2 t -105.55 114.06 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 48.0 m-85 -105.19 132.39 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -127.83 123.51 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -84.6 149.52 25.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -40.55 -67.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.61 179.73 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.72 -42.3 15.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.425 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 40.8 m170 -53.44 -31.54 45.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -72.82 -42.49 63.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.884 HG22 HD11 ' A' ' 95' ' ' ILE . 92.4 m -44.5 -61.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -39.83 -60.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -48.64 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.546 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 59.4 m95 -48.1 -55.44 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 107.981 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.884 HD11 HG22 ' A' ' 91' ' ' THR . 56.0 mt -43.78 -64.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -54.08 -43.55 70.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -49.37 -35.65 19.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.688 ' CB ' HG21 ' A' ' 58' ' ' VAL . 16.6 m-85 -85.11 -42.22 14.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 103' ' ' VAL . 20.7 mm-40 -62.13 -50.3 72.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.437 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -70.18 -10.55 59.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.32 -57.08 3.04 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 98' ' ' PHE . 33.6 p -60.1 -38.91 84.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 99' ' ' GLN . 20.1 m -84.41 -162.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.3 t -148.0 19.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -53.42 -170.55 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.54 5.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.429 1.752 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 m 63.9 160.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.7 p -141.77 125.7 17.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -95.4 169.33 10.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.794 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.28 139.4 30.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.14 -154.41 20.17 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -174.1 94.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -143.7 142.52 31.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.09 -151.7 42.65 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 m -113.62 167.82 10.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 m -54.33 -64.66 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.523 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -155.38 154.4 31.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -178.8 168.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.956 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.56 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 134.59 148.4 5.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -60.39 132.88 55.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.882 HD11 ' CE2' ' A' ' 94' ' ' TRP . 32.9 mt -131.71 177.25 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.661 ' CE1' ' CE1' ' A' ' 26' ' ' HIS . 21.1 m-85 -123.96 107.18 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 15.2 ttt180 -91.19 107.46 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -107.93 177.97 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.9 5.15 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.74 -150.28 10.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.02 -56.23 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 110.031 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -80.43 5.56 14.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -82.43 156.26 68.65 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 137.4 21.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 97.8 m95 -78.99 151.45 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -122.8 103.22 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.661 ' CE1' ' CE1' ' A' ' 15' ' ' TYR . 1.7 m-70 -67.66 102.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mt -132.98 169.95 16.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 65.4 t-105 -110.22 145.51 37.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CZ ' ' HD2' ' A' ' 16' ' ' ARG . 75.0 m-85 -141.52 158.33 43.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.82 148.61 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -117.21 90.45 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.88 -39.19 38.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -171.38 -53.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 5.1 mttt -148.99 21.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.0 t -126.25 119.52 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.603 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.7 tm? -82.43 93.8 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -84.99 137.35 33.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 48' ' ' LEU . 1.9 m -91.76 158.66 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 56.4 m-85 -156.95 -174.21 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.803 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -129.22 -46.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.077 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.4 -176.41 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 t -62.51 -74.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -102.09 53.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -48.19 149.32 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -55.73 -30.83 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.31 164.68 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -76.62 144.55 39.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.803 HD11 ' HB2' ' A' ' 40' ' ' ALA . 20.1 mt -72.01 -45.37 61.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -143.37 168.83 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.22 123.29 15.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -144.58 117.38 5.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 156.77 43.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -100.21 30.31 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 105.19 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.71 -26.42 20.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.464 ' CE2' ' CG ' ' A' ' 75' ' ' HIS . 39.7 m-85 -58.36 -179.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.465 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.4 m -155.44 170.46 21.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.544 HG21 ' CG ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -142.4 155.15 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -164.79 155.13 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.867 HD23 HD11 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -82.23 146.12 29.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.775 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.8 p -124.01 147.97 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -57.09 -88.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 12.4 t0 83.07 -2.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 9.4 tt0 68.88 120.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 5.5 t-20 87.3 -44.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.31 106.41 11.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.42 -29.23 23.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.482 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -168.48 45.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.36 -35.65 5.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.426 HG13 HG13 ' A' ' 61' ' ' VAL . 7.4 p -113.15 140.34 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CE2' ' CB ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -133.9 178.36 7.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HG2' HG22 ' A' ' 82' ' ' VAL . 28.4 mt-30 -131.45 152.39 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.604 HD23 ' HD2' ' A' ' 80' ' ' PHE . 61.6 tp -103.91 96.98 7.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -78.25 147.9 34.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.464 ' CG ' ' CE2' ' A' ' 56' ' ' PHE . 42.0 t60 -137.16 95.23 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.591 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 81.13 2.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 124.56 -25.8 5.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.8 mtt -92.31 138.56 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.05 138.08 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.604 ' HD2' HD23 ' A' ' 73' ' ' LEU . 17.7 t80 -104.42 -41.4 5.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.408 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 4.5 m-85 -160.36 172.56 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.533 HG22 ' HG2' ' A' ' 72' ' ' GLN . 34.3 t -119.19 121.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.591 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 54.7 m-85 -110.5 122.33 47.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -113.53 135.98 53.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.42 153.76 23.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.61 -44.61 90.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.47 171.88 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.15 -52.11 4.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -48.35 -39.83 23.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.8 m -61.66 -38.63 88.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.539 HG23 ' CD1' ' A' ' 71' ' ' PHE . 21.0 m -52.1 -57.48 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' THR . 11.0 mm100 -38.66 -52.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -62.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.882 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.9 m95 -43.46 -51.15 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.867 HD11 HD23 ' A' ' 60' ' ' LEU . 43.8 mt -50.22 -70.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.89 -41.61 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -55.84 -45.74 78.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 102' ' ' THR . 21.8 m-85 -73.63 -44.91 55.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.715 ' O ' HG22 ' A' ' 103' ' ' VAL . 24.3 mm-40 -61.5 -56.62 18.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 17.9 mt-10 -52.05 -32.27 33.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' A' ' 34' ' ' LYS . . . -65.0 -63.62 4.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 98' ' ' PHE . 55.1 p -51.32 -40.25 58.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.888 HG23 ' H ' ' A' ' 105' ' ' GLY . 20.7 m -87.05 -163.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.8 t -113.85 18.34 17.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.888 ' H ' HG23 ' A' ' 103' ' ' VAL . . . 100.67 -157.61 19.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.494 1.122 . . . . 0.0 111.064 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -41.44 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.6 p -175.59 87.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m 63.81 168.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -106.47 160.48 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.36 158.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.07 172.43 6.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -135.53 95.55 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.976 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -76.86 94.24 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.038 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.65 -175.48 43.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -44.98 151.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.4 m -53.74 -45.98 70.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -171.4 123.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -147.0 -74.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.494 ' O ' ' CE3' ' A' ' 28' ' ' TRP . . . 34.28 -147.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD2' ' CE3' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -124.18 150.29 45.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.721 HD11 ' CD2' ' A' ' 94' ' ' TRP . 94.6 mt -145.14 171.91 13.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.643 ' CE1' ' CE1' ' A' ' 26' ' ' HIS . 23.9 m-85 -122.75 116.16 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.21 135.17 33.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.5 158.66 43.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.82 14.15 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.99 -168.19 26.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.38 169.23 17.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.82 21.06 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -110.87 156.08 41.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -78.89 133.74 36.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 108.005 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -107.61 103.87 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.643 ' CE1' ' CE1' ' A' ' 15' ' ' TYR . 1.5 m-70 -62.65 100.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 25' ' ' LYS . 1.1 mt -126.75 161.96 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.494 ' CE3' ' O ' ' A' ' 12' ' ' GLY . 60.0 t-105 -102.32 141.66 34.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD1' HD11 ' A' ' 36' ' ' LEU . 94.2 m-85 -136.89 147.51 46.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.2 t -137.44 154.38 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.0 mt -120.49 104.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 7.7 ttpp -135.4 144.35 46.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.2 t30 51.93 28.59 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 tptt 63.65 36.06 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.654 HG13 ' C ' ' A' ' 51' ' ' GLN . 85.6 t -128.9 135.49 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.61 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.7 tm? -88.28 93.06 9.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 42.7 m-85 -79.31 145.49 33.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.418 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 35.4 m -99.51 152.29 20.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.437 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.729 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 71.5 m-85 -157.04 178.66 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.779 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -120.45 -42.6 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.35 167.89 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 t -77.07 -23.42 51.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 22.7 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' OD2' ' CD1' ' A' ' 39' ' ' TYR . 3.1 p30 -71.76 157.33 38.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.57 -17.24 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -159.14 147.21 17.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.729 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -70.68 142.66 51.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 40' ' ' ALA . 67.9 mt -67.66 -38.96 84.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -149.45 165.61 31.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.96 132.94 31.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.654 ' C ' HG13 ' A' ' 35' ' ' VAL . 54.1 mm-40 -148.46 127.99 6.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.493 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.95 128.34 11.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 36' ' ' LEU . 14.2 mt -67.32 -32.98 74.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.53 102.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.42 30.71 2.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 75' ' ' HIS . 26.6 m-85 -139.74 -171.91 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' LEU . 6.9 m -155.98 171.66 19.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -146.48 159.62 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.413 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.4 t -168.21 162.22 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -85.12 140.77 30.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.778 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -121.62 137.48 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -50.74 -55.4 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.62 -170.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.21 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' SER . 2.7 t-20 -125.36 -42.47 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.472 ' HB2' HG12 ' A' ' 70' ' ' VAL . 38.6 m -36.14 101.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.39 -22.08 57.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.513 ' HA ' HD11 ' A' ' 60' ' ' LEU . 4.2 t -167.67 33.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.645 ' HG2' ' HB2' ' A' ' 88' ' ' ALA . 15.6 mttm -112.2 11.37 20.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG12 ' HB2' ' A' ' 66' ' ' SER . 7.4 p -156.61 154.44 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' HA ' HG12 ' A' ' 61' ' ' VAL . 1.3 p90 -146.21 177.03 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.743 ' HG2' HG22 ' A' ' 82' ' ' VAL . 20.6 mt-30 -127.01 154.86 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.474 HD22 ' HE2' ' A' ' 83' ' ' PHE . 18.3 tp -103.54 96.04 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -78.98 147.62 32.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.596 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 69.2 t60 -136.21 95.65 3.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.596 ' HG3' ' CD2' ' A' ' 75' ' ' HIS . 4.6 mtpt 80.77 2.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.434 ' O ' HD23 ' A' ' 74' ' ' LEU . . . 124.14 -23.9 6.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.77 141.34 28.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.409 HG11 ' OE1' ' A' ' 72' ' ' GLN . 55.0 t -68.81 138.47 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.455 ' HD2' HD23 ' A' ' 73' ' ' LEU . 33.7 t80 -108.29 -38.22 5.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.462 ' CE2' ' NH1' ' A' ' 16' ' ' ARG . 3.7 m-85 -166.34 167.33 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.743 HG22 ' HG2' ' A' ' 72' ' ' GLN . 83.9 t -113.21 111.48 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 29.0 m-85 -104.46 124.84 49.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -112.6 134.77 53.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.69 150.15 21.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.26 -63.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.82 -178.28 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.645 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . . . -80.42 -48.63 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -48.91 -38.37 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 m -62.51 -48.18 80.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -39.25 -65.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -44.14 -53.36 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -50.57 -60.72 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.721 ' CD2' HD11 ' A' ' 14' ' ' LEU . 69.1 m95 -50.26 -54.31 22.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.486 HG23 ' CG1' ' A' ' 58' ' ' VAL . 18.9 mt -45.43 -64.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -53.61 -44.5 69.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -52.57 -48.24 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.774 ' O ' HG23 ' A' ' 102' ' ' THR . 15.8 m-85 -70.2 -41.01 74.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 103' ' ' VAL . 7.3 mm-40 -58.5 -58.37 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 11.5 mt-10 -59.32 -34.28 72.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.15 -59.67 9.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 98' ' ' PHE . 61.0 p -53.16 -42.56 66.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.0 m -87.99 -164.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.8 t -138.5 13.1 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 125.07 155.79 9.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.3 4.87 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 t -178.94 169.28 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.8 m -105.9 128.04 53.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -86.04 81.63 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.3 p -98.63 156.24 16.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.04 173.59 25.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -138.32 115.78 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t 60.43 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.23 146.13 4.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.6 m -61.26 143.81 54.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -40.5 -65.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.401 ' HG2' ' CE3' ' A' ' 94' ' ' TRP . 5.8 tpt -143.67 129.43 19.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 p -158.98 143.81 15.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.056 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.41 155.94 7.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -68.81 134.36 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.801 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.743 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 21.8 mt -134.39 168.29 19.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.726 ' CE1' ' CG ' ' A' ' 26' ' ' HIS . 26.5 m-85 -112.76 116.42 30.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -97.39 128.38 44.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -124.93 173.53 8.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.42 29.6 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.25 -154.51 25.56 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.77 -53.24 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -80.65 3.26 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -82.45 156.08 68.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 150.29 37.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.9 m95 -87.32 152.85 21.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 110.2 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.726 ' CG ' ' CE1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -66.25 118.34 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.594 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -143.14 163.86 31.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -110.53 139.99 45.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 107.989 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.517 ' CD1' HD11 ' A' ' 36' ' ' LEU . 81.1 m-85 -139.79 157.54 45.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -144.86 152.76 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -109.77 101.5 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -130.86 132.42 45.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.4 t30 58.51 24.43 11.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 68.58 33.89 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -126.41 132.34 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.1 tm? -87.05 91.12 8.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -79.65 146.54 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 7.4 m -95.87 160.39 14.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.34 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.483 ' CG ' ' O ' ' A' ' 38' ' ' THR . 84.6 m-85 -162.61 171.31 17.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.935 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -117.17 -39.52 3.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.34 165.04 16.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -50.44 -64.1 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.52 61.82 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.35 150.41 43.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -50.61 -31.85 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -170.4 167.28 8.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -71.2 145.25 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.935 HD11 ' HB2' ' A' ' 40' ' ' ALA . 70.8 mt -77.23 -36.92 54.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -151.08 177.67 9.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.253 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.54 140.63 33.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -155.14 113.56 2.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 145.66 31.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mt -94.98 32.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -81.29 110.35 16.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' HD22 ' A' ' 54' ' ' LEU . . . 93.67 -29.63 8.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 31.9 m-85 -52.5 179.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -152.7 170.58 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.648 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -142.76 150.42 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.1 t -157.55 149.79 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.915 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.3 tm? -79.5 143.55 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.915 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -123.7 132.89 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -89.3 110.18 20.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.85 166.58 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 65' ' ' ASN . 1.6 pt-20 -69.86 -26.18 64.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 64' ' ' GLU . 3.0 m-20 -89.41 -63.23 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.4 m -105.39 131.89 52.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.46 -36.3 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.706 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -147.18 35.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.603 ' HD3' ' HB2' ' A' ' 88' ' ' ALA . 2.1 mttp -123.67 21.94 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' HD22 ' A' ' 60' ' ' LEU . 3.0 p -149.91 136.83 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.3 p90 -131.62 177.2 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' HG3' HG11 ' A' ' 61' ' ' VAL . 31.6 mt-30 -133.27 145.43 50.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.46 HD23 ' HD2' ' A' ' 80' ' ' PHE . 28.8 tp -93.61 97.75 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER -80.58 145.86 31.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER -137.13 119.19 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.63 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 0.4 OUTLIER 59.79 13.2 3.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 110.92 -29.1 9.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.483 ' HG2' ' CG ' ' A' ' 76' ' ' LYS . 5.7 ptp -89.18 140.59 29.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.0 141.39 17.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.46 ' HD2' HD23 ' A' ' 73' ' ' LEU . 15.1 t80 -108.84 -38.77 5.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -165.82 -179.47 5.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 t -125.65 116.13 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.46 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 55.3 m-85 -108.95 138.97 44.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.11 149.27 39.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.721 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -111.18 157.84 19.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.84 -64.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -115.01 -179.82 3.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.603 ' HB2' ' HD3' ' A' ' 69' ' ' LYS . . . -61.76 -47.61 84.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -51.84 -58.93 5.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.555 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.502 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 69.1 m -40.3 -57.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.721 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 1.2 m -45.06 -60.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -49.09 -52.88 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -55.5 -50.48 69.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.743 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 72.8 m95 -57.84 -47.82 81.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 107.964 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.73 HD11 HD23 ' A' ' 60' ' ' LEU . 61.3 mt -52.45 -71.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -50.75 -36.0 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -62.73 -36.61 83.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.648 ' CB ' HG21 ' A' ' 58' ' ' VAL . 9.8 m-85 -84.44 -34.16 23.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.565 ' O ' HG22 ' A' ' 103' ' ' VAL . 11.5 mm-40 -67.81 -41.17 83.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.531 ' HA ' HG22 ' A' ' 103' ' ' VAL . 3.0 mt-10 -67.52 -27.37 66.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.25 -52.15 38.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.8 p -61.83 -44.36 97.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 99' ' ' GLN . 16.3 m -80.89 -161.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.0 m -167.14 95.76 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -110.9 -172.08 19.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 89.36 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.4 165.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.85 -60.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 m -153.66 105.34 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 p -133.77 160.3 38.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.98 63.49 2.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.127 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -134.19 112.98 11.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 109.974 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.77 138.03 55.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.46 -136.5 31.97 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -79.94 145.77 32.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 m -38.96 -59.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.87 139.17 26.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.9 p -157.02 113.94 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -171.27 160.55 32.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' O ' HD23 ' A' ' 14' ' ' LEU . 19.4 m-85 -76.96 134.62 38.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 8.5 mt -136.95 161.11 36.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.615 ' CE1' ' CE1' ' A' ' 26' ' ' HIS . 24.0 m-85 -108.83 123.13 48.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.52 139.3 32.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -141.62 161.87 36.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 39.52 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.99 -179.09 18.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' LYS . 2.0 m -65.8 -77.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -70.12 57.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' SER . 4.2 mmtt -130.03 156.03 79.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 136.79 21.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.7 m95 -81.27 153.97 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -131.57 109.01 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.615 ' CE1' ' CE1' ' A' ' 15' ' ' TYR . 1.7 m-70 -63.08 110.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -134.36 164.25 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 43.1 t-105 -119.75 127.7 53.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD1' HD11 ' A' ' 36' ' ' LEU . 88.2 m-85 -122.91 159.97 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 29' ' ' PHE . 3.9 t -151.11 133.7 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.3 mt -95.82 93.94 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -86.69 -98.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 35' ' ' VAL . 1.1 t30 -93.09 63.93 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 56.37 21.8 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 33' ' ' ASN . 92.1 t -115.0 130.56 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 29' ' ' PHE . 3.3 tm? -85.76 93.6 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 23.6 m-85 -81.67 150.05 28.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.544 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 16.5 m -111.18 156.57 21.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 70.7 m-85 -152.71 178.4 9.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 1.027 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -116.84 -9.59 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 40' ' ' ALA . . . 173.3 -175.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 p -91.98 12.38 22.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.038 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -112.67 -23.93 9.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.84 141.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -72.81 -27.84 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -152.91 -174.97 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 38' ' ' THR . . . -86.22 141.89 28.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.027 HD11 ' HB2' ' A' ' 40' ' ' ALA . 96.8 mt -68.23 -41.3 81.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -141.27 163.33 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.501 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -142.23 130.26 21.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.412 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 51.5 tp60 -147.39 124.29 5.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.412 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.3 Cg_endo -75.01 121.94 6.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.09 -25.06 63.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.23 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.53 35.05 1.34 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 75' ' ' HIS . 26.4 m-85 -139.84 -173.53 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.5 m -154.1 170.83 20.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.614 HG23 HD12 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -147.12 152.42 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.465 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -155.5 148.62 24.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.482 HD23 HD11 ' A' ' 95' ' ' ILE . 3.1 tm? -78.64 139.57 38.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' A' ' 71' ' ' PHE . 3.8 p -120.61 149.03 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -90.62 -66.65 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 71.63 159.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.32 -18.06 47.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -90.19 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.502 ' HB3' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -89.31 -174.26 4.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.03 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -137.46 -46.07 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m -155.49 24.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 2.8 mttt -112.61 23.59 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.606 HG13 HG13 ' A' ' 61' ' ' VAL . 2.9 p -154.07 156.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.617 ' HA ' HG12 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -148.77 175.33 11.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 110.96 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.482 ' HG2' HG22 ' A' ' 82' ' ' VAL . 30.9 mt-30 -130.09 147.54 51.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.614 HD12 HG23 ' A' ' 58' ' ' VAL . 20.2 tp -97.65 100.03 11.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -83.61 150.78 25.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 76' ' ' LYS . 8.0 t-80 -137.24 94.86 2.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 83.69 -2.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 130.2 -26.21 4.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.7 mtm -90.5 148.0 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.5 t -74.85 128.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.512 ' HD2' HD23 ' A' ' 73' ' ' LEU . 42.3 t80 -99.43 -38.94 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.417 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 5.5 m-85 -166.9 157.75 12.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.482 HG22 ' HG2' ' A' ' 72' ' ' GLN . 44.6 t -98.33 157.53 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 54.3 m-85 -152.49 127.96 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -111.18 147.33 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 90' ' ' SER . . . -116.72 155.34 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -45.92 -66.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.16 174.45 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -62.61 -46.05 90.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.411 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 1.2 m-70 -50.26 -47.73 55.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.551 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -53.91 -49.41 68.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.716 HG22 ' CD1' ' A' ' 95' ' ' ILE . 97.8 m -47.52 -61.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -39.2 -52.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.411 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -57.06 -55.46 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.61 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 75.9 m95 -54.53 -49.69 69.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.716 ' CD1' HG22 ' A' ' 91' ' ' THR . 97.3 mt -51.57 -69.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -50.35 -35.71 29.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.5 83.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.669 ' O ' HG23 ' A' ' 102' ' ' THR . 15.8 m-85 -83.72 -30.63 26.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.47 ' O ' HG22 ' A' ' 103' ' ' VAL . 21.9 mm-40 -69.24 -49.74 53.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.583 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -68.66 -28.75 67.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.22 -62.49 5.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 98' ' ' PHE . 49.3 p -53.13 -45.48 68.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.773 . . . . 0.0 110.412 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.583 HG22 ' HA ' ' A' ' 100' ' ' GLU . 5.0 m -80.8 -161.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.4 m -169.05 97.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -105.9 160.2 14.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 85.82 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.0 p -44.1 121.51 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.8 p -121.02 159.45 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 p -111.73 -47.91 3.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 m -151.44 -61.97 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.45 177.59 15.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.55 114.2 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.99 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 p -74.02 158.05 35.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.79 -104.47 2.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -140.09 162.04 36.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.1 m -53.08 -63.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.554 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -137.89 166.23 24.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -177.23 162.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 130.64 159.61 9.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -69.92 124.7 24.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.877 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 3.8 mt -126.96 143.69 51.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -83.37 112.39 19.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 82' ' ' VAL . 52.3 ttp180 -100.1 108.52 20.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -99.51 -177.42 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.041 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 3.2 mttt -129.04 20.49 5.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.82 -136.16 4.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.138 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.08 -65.91 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.756 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -1.09 23.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 18' ' ' LYS . 12.7 mmtt -69.95 156.63 91.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.442 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -75.01 142.4 27.76 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.787 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 81.7 m95 -87.57 142.37 27.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 23' ' ' PRO . 3.9 mtmt -123.82 101.64 7.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -71.28 98.74 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.73 170.64 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.497 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.1 t-105 -103.94 134.42 47.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 107.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 36' ' ' LEU . 98.4 m-85 -134.6 149.15 50.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -143.38 123.07 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 10' ' ' MET . 92.2 mt -84.91 98.07 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -120.13 133.34 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 60.63 19.8 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 mptt 77.79 14.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.588 HG13 ' C ' ' A' ' 51' ' ' GLN . 83.1 t -108.93 132.63 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.0 tm? -82.99 93.33 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' A' ' 32' ' ' LYS . 54.3 m-85 -80.32 147.52 31.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 m -103.07 155.28 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 67.3 m-85 -155.43 179.17 9.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.891 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -120.99 -40.78 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.86 -175.29 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 t -75.23 -48.82 21.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.945 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -117.78 58.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.52 165.23 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -82.08 -25.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.55 149.34 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -69.11 134.62 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.891 HD11 ' HB2' ' A' ' 40' ' ' ALA . 74.9 mt -62.08 -41.15 97.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -148.73 166.87 27.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.18 124.94 15.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.588 ' C ' HG13 ' A' ' 35' ' ' VAL . 61.0 mm-40 -143.65 127.14 9.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.494 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 157.47 42.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 102' ' ' THR . 14.7 mt -100.46 25.23 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 tt -84.91 123.23 30.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.74 -16.88 43.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.494 ' CE2' ' O ' ' A' ' 52' ' ' PRO . 53.0 m-85 -74.35 177.02 6.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -149.02 167.58 25.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.715 ' CG1' HG23 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -144.74 152.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 t -160.67 147.95 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.4 tm? -80.91 142.76 33.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.908 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.0 p -123.92 142.55 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -40.79 86.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' N ' HG22 ' A' ' 61' ' ' VAL . 4.1 t70 55.22 168.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -17.26 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -89.11 -46.48 8.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.92 164.43 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -126.22 118.54 25.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.642 ' HA ' HD11 ' A' ' 60' ' ' LEU . 17.1 t 46.83 31.28 1.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.525 ' HE2' ' HB2' ' A' ' 88' ' ' ALA . 16.4 mttt -132.39 12.69 4.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.23 147.1 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.565 ' HA ' HG12 ' A' ' 61' ' ' VAL . 2.4 p90 -138.07 177.87 7.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.592 ' HG2' HG22 ' A' ' 82' ' ' VAL . 29.1 mt-30 -129.78 145.74 51.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.647 HD23 ' HD2' ' A' ' 80' ' ' PHE . 48.1 tp -95.86 99.09 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -84.22 148.04 26.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 20.7 t-80 -137.23 95.12 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.572 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 87.94 -33.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 163.22 -27.26 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.31 141.94 28.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.78 129.17 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.647 ' HD2' HD23 ' A' ' 73' ' ' LEU . 19.2 t80 -93.07 -41.78 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 11.5 m-85 -166.43 157.95 13.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.592 HG22 ' HG2' ' A' ' 72' ' ' GLN . 88.5 t -99.91 132.58 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 69.2 m-85 -126.07 131.87 52.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -117.08 138.64 51.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.752 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -105.77 150.91 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -74.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -94.78 178.48 5.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.525 ' HB2' ' HE2' ' A' ' 69' ' ' LYS . . . -72.36 -61.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.451 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 8.3 m170 -39.52 -43.29 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -56.55 19.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.752 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 1.3 m -42.43 -52.86 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.354 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -56.92 -58.15 9.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.451 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -46.44 -47.07 19.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.237 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.877 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 74.9 m95 -60.67 -53.76 53.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 108.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.715 HG23 ' CG1' ' A' ' 58' ' ' VAL . 8.8 mt -51.36 -58.3 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -55.01 -40.67 70.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.14 -34.19 77.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 102' ' ' THR . 13.5 m-85 -81.49 -30.01 33.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -73.16 -39.76 65.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.526 ' HA ' HG22 ' A' ' 103' ' ' VAL . 1.2 pt-20 -78.02 -13.17 59.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.11 -44.82 43.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.442 1.088 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 53' ' ' LEU . 22.7 p -65.7 -24.43 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.368 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 100' ' ' GLU . 28.7 m -104.92 -168.06 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.8 m -154.81 102.31 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.05 -175.9 0.53 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 148.58 35.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.61 95.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 t -170.39 129.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.052 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.4 124.06 37.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -147.84 159.08 44.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.76 78.55 0.62 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -44.79 158.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.23 120.64 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.33 76.25 0.9 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.123 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.54 178.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 m -44.77 -43.82 8.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.1 tpt -157.03 140.82 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -169.56 136.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.545 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 165.74 150.46 6.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 63.8 m-85 -65.1 129.03 38.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 94' ' ' TRP . 76.4 mt -129.6 150.79 50.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -97.78 119.0 35.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -91.27 136.85 32.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -156.53 132.57 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -36.6 82.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.52 -163.09 10.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -85.87 -37.93 18.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 0.0 110.015 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -85.82 39.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -129.87 155.51 80.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.74 8.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 97.9 m95 -66.86 135.87 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 121.11 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.534 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 51.3 t-80 -71.71 120.42 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.616 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -142.64 168.9 18.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.545 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 70.2 t-105 -120.59 137.61 54.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 107.985 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.62 ' HB3' HD21 ' A' ' 36' ' ' LEU . 97.5 m-85 -135.48 158.21 44.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -150.48 157.5 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -118.63 89.03 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 3.3 tttp -71.27 -84.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.672 ' O ' HG23 ' A' ' 35' ' ' VAL . 36.2 t-20 -115.51 71.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttp 59.49 17.45 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 33' ' ' ASN . 95.8 t -115.09 125.4 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 29' ' ' PHE . 2.7 tm? -81.39 91.55 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 13.5 m-85 -79.91 132.29 36.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.55 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 3.4 m -90.18 160.64 16.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.719 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 65.0 m-85 -157.99 172.61 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 1.013 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -114.77 -11.06 12.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 40' ' ' ALA . . . 176.84 172.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 t -82.5 5.84 19.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.972 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -109.03 -18.73 13.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.781 ' OD2' ' HB3' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -44.88 135.73 5.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 m -63.72 -30.15 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.82 -175.28 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.03 135.43 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.013 HD11 ' HB2' ' A' ' 40' ' ' ALA . 81.3 mt -61.45 -47.69 84.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -135.07 158.92 43.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.556 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -140.06 132.8 29.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.562 ' C ' HG13 ' A' ' 35' ' ' VAL . 39.3 tp60 -152.71 133.4 7.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.2 Cg_endo -75.06 129.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.27 -21.09 66.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.547 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -54.42 113.4 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.532 ' N ' HD13 ' A' ' 54' ' ' LEU . . . 112.78 -34.07 5.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -75.24 -178.26 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.479 ' O ' HD12 ' A' ' 73' ' ' LEU . 3.5 m -152.63 168.86 24.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.518 HG21 ' CG ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.25 152.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -161.26 129.85 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.647 HD23 HD11 ' A' ' 95' ' ' ILE . 3.5 tm? -63.14 141.72 58.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.616 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.1 p -123.33 147.05 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -67.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t70 68.26 179.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -110.5 -32.51 6.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -61.94 -66.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.5 158.27 41.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' C ' ' N ' ' A' ' 69' ' ' LYS . 19.4 mt-10 -119.2 145.05 46.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.58 ' HA ' HD21 ' A' ' 60' ' ' LEU . 13.5 m 43.59 27.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' GLU . 9.9 tttt -121.69 -41.75 2.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -103.53 145.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -131.24 177.82 7.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.562 ' HG2' HG22 ' A' ' 82' ' ' VAL . 26.0 mt-30 -125.91 148.24 49.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 57' ' ' THR . 43.4 tp -99.67 98.22 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -82.72 146.68 28.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 29.6 t-80 -136.51 98.76 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 14.9 mtmt 82.25 -1.97 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.451 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 127.47 -23.66 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 25.3 mtt -95.49 142.31 27.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.75 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.09 128.75 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 62.0 t80 -101.67 -33.12 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.624 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 4.5 m-85 -167.3 169.62 12.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.562 HG22 ' HG2' ' A' ' 72' ' ' GLN . 21.5 t -118.46 144.93 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.429 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 61.1 m-85 -136.48 127.06 26.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 85' ' ' ALA . 3.8 tttt -109.82 141.49 42.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . -111.25 143.05 42.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.34 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -94.51 174.69 6.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.78 -47.07 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -46.92 -50.53 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.607 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -51.8 28.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.958 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.457 HG22 HD11 ' A' ' 95' ' ' ILE . 24.2 m -40.76 -68.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 91' ' ' THR . 11.3 mm100 -38.52 -58.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -53.18 36.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 63.8 m95 -55.02 -53.31 57.4 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.647 HD11 HD23 ' A' ' 60' ' ' LEU . 94.9 mt -46.91 -63.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.8 -42.03 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -54.15 -49.78 68.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.518 ' CG ' HG21 ' A' ' 58' ' ' VAL . 7.1 m-85 -68.78 -49.64 56.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.698 ' O ' HG22 ' A' ' 103' ' ' VAL . 18.1 mm-40 -53.97 -56.78 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.437 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 3.5 mt-10 -56.26 -36.64 68.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.0 -55.93 25.31 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.4 p -57.43 -42.31 82.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 99' ' ' GLN . 21.4 m -86.44 -163.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.0 p -145.66 96.57 2.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -82.73 -152.22 10.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.36 3.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.3 p -141.27 141.48 33.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.6 m 55.41 80.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -132.63 149.1 52.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.43 115.99 29.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.42 162.74 19.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -162.22 117.53 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.749 . . . . 0.0 110.002 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.29 -57.27 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.34 -143.49 7.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 p -119.15 169.19 10.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.6 m -41.18 -41.41 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.543 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -166.82 167.86 14.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.9 p -179.57 126.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.539 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 167.69 178.47 39.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' HB3' ' CE1' ' A' ' 26' ' ' HIS . 42.9 m-85 -88.63 138.32 31.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.532 HD11 ' CD2' ' A' ' 94' ' ' TRP . 78.5 mt -136.64 151.47 49.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.541 ' CE1' ' ND1' ' A' ' 26' ' ' HIS . 30.0 m-85 -94.54 112.79 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.46 120.31 32.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 2.2 m -127.09 155.76 42.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -98.76 15.29 25.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.6 -152.37 23.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.155 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -96.22 -55.73 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -81.79 47.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -130.46 155.71 80.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.63 10.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 95.4 m95 -70.84 154.71 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.98 112.79 11.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.541 ' ND1' ' CE1' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -75.47 113.64 13.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.633 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.52 166.89 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.539 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 70.0 t-105 -104.58 140.31 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 107.984 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -137.92 151.89 48.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.4 t -147.53 125.19 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -93.91 110.01 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.52 137.74 44.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 57.54 24.64 10.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.95 25.22 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 85.9 t -117.78 133.57 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.0 tm? -90.0 93.4 9.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -79.22 151.48 31.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.577 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 53.4 m -106.67 159.33 16.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.661 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 67.3 m-85 -160.97 169.24 22.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 1.05 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -111.01 -28.57 8.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.16 173.76 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 t -84.92 -2.59 58.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -9.15 28.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.34 168.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.03 -18.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.1 176.39 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -82.69 145.82 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.05 HD11 ' HB2' ' A' ' 40' ' ' ALA . 96.0 mt -70.98 -33.01 70.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -151.75 167.39 28.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.95 123.78 15.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -145.99 126.52 7.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.99 153.5 41.87 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 36' ' ' LEU . 12.2 mt -96.41 38.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -94.61 117.93 30.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.01 -11.66 70.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 75' ' ' HIS . 39.5 m-85 -81.63 178.1 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 110.973 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -153.94 169.14 24.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.536 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -144.83 151.19 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 74' ' ' LEU . 5.8 t -162.24 140.36 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.612 HD11 ' O ' ' A' ' 67' ' ' GLU . 2.8 tm? -72.57 141.02 48.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.5 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -124.44 127.77 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.56 -8.01 14.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.96 6.87 33.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.453 ' OE1' ' CG2' ' A' ' 70' ' ' VAL . 3.6 tt0 -89.06 -61.72 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.22 -57.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.72 124.21 37.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.612 ' O ' HD11 ' A' ' 60' ' ' LEU . 3.0 mt-10 -40.79 -92.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.487 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -110.69 91.53 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -164.29 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' CG2' ' OE1' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -107.07 129.85 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 3.1 p90 -119.44 178.02 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.843 ' HG2' HG22 ' A' ' 82' ' ' VAL . 15.4 mt-30 -125.35 145.6 49.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.457 HD22 ' HE2' ' A' ' 83' ' ' PHE . 62.6 tp -97.04 98.47 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -81.31 146.21 30.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . 63.3 t60 -136.81 96.96 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER 81.29 6.67 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.51 -17.56 13.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.8 mtt -100.09 137.14 38.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.471 HG11 ' OE1' ' A' ' 72' ' ' GLN . 55.0 t -64.87 125.07 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 67.6 t80 -94.87 -37.69 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 3.9 m-85 -164.94 167.78 18.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.843 HG22 ' HG2' ' A' ' 72' ' ' GLN . 59.4 t -115.39 127.83 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.457 ' HE2' HD22 ' A' ' 73' ' ' LEU . 59.7 m-85 -120.06 130.52 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -115.25 132.58 56.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.27 157.86 15.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -58.8 -54.6 45.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.45 -172.29 2.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.37 -49.04 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -49.37 -32.97 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.9 m -69.45 -48.38 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.827 HG22 ' CD1' ' A' ' 95' ' ' ILE . 96.4 m -40.32 -63.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' THR . 15.0 mm100 -38.85 -48.23 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -58.24 -64.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.543 ' CD2' ' SD ' ' A' ' 10' ' ' MET . 69.1 m95 -47.76 -49.71 27.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 108.051 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.827 ' CD1' HG22 ' A' ' 91' ' ' THR . 96.9 mt -49.44 -66.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.54 -40.9 63.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -56.3 -39.06 72.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CB ' HG21 ' A' ' 58' ' ' VAL . 8.7 m-85 -81.09 -32.24 34.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.502 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.4 mm-40 -71.81 -57.62 4.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.469 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -56.08 -22.8 29.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.98 -53.39 10.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 98' ' ' PHE . 43.5 p -61.7 -41.64 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.638 HG23 ' H ' ' A' ' 105' ' ' GLY . 19.6 m -83.6 -162.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.9 t -129.44 16.47 5.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 103' ' ' VAL . . . 80.82 159.86 22.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 79.53 2.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.91 125.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.6 t -88.55 101.41 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.087 . . . . 0.0 111.005 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.23 151.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.977 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 t -111.41 166.3 11.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.43 110.97 0.74 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -128.42 142.54 51.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.73 -57.11 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.61 -96.87 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -49.29 151.5 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.997 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -65.56 -62.6 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 tpt -146.32 138.16 24.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.4 p -160.35 170.02 21.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.571 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 138.08 176.75 14.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.85 140.31 29.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.891 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 9.2 mt -140.48 168.95 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 18.4 m-85 -118.57 123.54 45.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' H ' HD21 ' A' ' 27' ' ' LEU . 8.4 ttp180 -101.19 145.93 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.72 166.62 32.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.051 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -31.44 13.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.81 162.05 26.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 4.6 m -47.92 164.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 0.737 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 20' ' ' SER . 15.4 mmtt 80.2 -44.54 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 20' ' ' SER . 4.5 mttp -69.7 156.42 91.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.25 22.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CH2' HG12 ' A' ' 82' ' ' VAL . 92.6 m95 -71.43 137.99 48.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 107.998 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.838 ' HB3' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -93.04 147.5 22.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.544 ' C ' HD13 ' A' ' 27' ' ' LEU . 1.3 t-80 -104.1 114.8 29.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.924 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -154.09 173.07 16.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 3.6 t-105 -128.62 152.13 48.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.742 ' HE1' HD23 ' A' ' 27' ' ' LEU . 57.5 m-85 -141.71 170.14 16.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 29' ' ' PHE . 29.0 t -154.33 157.13 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.6 mt -118.14 89.04 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 8.6 ttpt -80.52 -90.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.794 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.5 t-20 -105.7 71.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 52.06 22.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 33' ' ' ASN . 78.8 t -116.07 127.74 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.61 HD11 ' CD2' ' A' ' 29' ' ' PHE . 2.3 tm? -84.35 93.89 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 40.0 m-85 -86.62 134.78 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 m -85.15 155.63 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' TRP . 65.8 m-85 -157.23 174.47 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.744 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -117.38 -38.21 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.84 173.32 7.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.51 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . 2.5 t -61.17 -56.65 18.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -111.95 58.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -58.61 153.4 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 45' ' ' VAL . 1.6 m -66.82 -29.56 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.72 157.39 26.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -76.48 144.03 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.744 HD11 ' HB2' ' A' ' 40' ' ' ALA . 37.0 mt -74.23 -39.55 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -149.61 169.59 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -140.73 121.56 14.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -141.07 122.86 9.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.0 154.37 42.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 36' ' ' LEU . 2.4 mt -98.09 34.37 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.74 110.3 18.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.17 -37.05 3.63 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' C ' ' OG1' ' A' ' 57' ' ' THR . 45.2 m-85 -50.94 178.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 0.745 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.7 m -154.89 169.32 24.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.54 153.02 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -158.52 130.52 6.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 70' ' ' VAL . 2.7 tm? -68.36 141.07 55.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.641 ' H ' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -117.26 141.35 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -55.27 -78.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 65.01 157.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' C ' ' CD ' ' A' ' 64' ' ' GLU . 4.4 tp10 -103.9 -62.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -48.33 -53.55 17.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.452 ' CB ' HG12 ' A' ' 70' ' ' VAL . 58.0 m -72.68 -67.67 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.65 98.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.245 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.6 m 39.3 36.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 1.9 ttpm? -134.36 10.6 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.656 ' O ' HD22 ' A' ' 60' ' ' LEU . 3.1 p -139.42 152.81 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 83' ' ' PHE . 1.1 p90 -140.74 169.55 17.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -123.23 147.51 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.532 HD23 ' HD2' ' A' ' 80' ' ' PHE . 62.1 tp -97.81 100.65 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER -83.46 149.38 26.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 30.7 t-80 -137.18 94.66 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 86.96 -19.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.444 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 147.16 -21.92 1.57 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.82 143.69 26.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.8 t -67.07 137.62 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.532 ' HD2' HD23 ' A' ' 73' ' ' LEU . 28.6 t80 -104.94 -42.79 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -161.29 160.56 29.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.425 HG12 ' CH2' ' A' ' 24' ' ' TRP . 19.1 t -104.0 113.79 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.37 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 38.0 m-85 -104.32 126.83 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 85' ' ' ALA . 2.3 ttmt -118.23 139.56 51.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . -104.38 157.01 17.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.5 -63.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -104.02 158.58 16.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.93 41.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -41.54 -51.77 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.8 m -48.89 -52.0 26.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.585 HG22 HD11 ' A' ' 95' ' ' ILE . 23.8 m -39.03 -69.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -41.53 -58.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -44.53 -59.94 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.891 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 73.5 m95 -51.56 -58.03 7.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 91' ' ' THR . 22.0 mt -41.47 -67.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.15 -42.75 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -54.73 -43.44 72.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.452 ' CB ' HG21 ' A' ' 58' ' ' VAL . 5.9 m-85 -75.94 -34.26 59.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.704 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.0 mm-40 -67.03 -58.5 4.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.415 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 17.8 mt-10 -52.81 -23.94 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.99 -51.24 7.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.8 p -62.65 -31.29 72.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.371 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 99' ' ' GLN . 34.1 m -96.94 -166.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.5 m -150.21 97.51 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -66.48 157.17 50.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 55.97 4.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.6 m -109.27 116.29 31.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.0 t -120.64 -57.42 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -77.93 143.99 37.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 t -162.56 133.68 5.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.78 122.72 4.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.54 115.1 20.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.964 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -105.08 -58.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.9 -144.17 15.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.3 m -73.49 162.63 29.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.006 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.0 m -41.9 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 tpt -139.13 148.71 43.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -171.11 165.76 7.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 138.16 147.89 5.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 21.2 m-85 -63.77 139.44 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.084 HD11 ' CE2' ' A' ' 94' ' ' TRP . 39.7 mt -141.4 -176.68 4.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -131.39 118.85 20.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 4.0 ttm180 -92.52 118.41 30.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 82' ' ' VAL . 3.1 m -124.9 129.23 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.953 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -8.88 55.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.7 -148.39 5.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.22 -53.35 2.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 0.742 . . . . 0.0 109.946 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -72.57 -5.37 36.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -80.19 156.15 74.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.52 12.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 96.3 m95 -69.13 157.97 35.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -133.25 120.03 20.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.516 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 16.3 t-80 -72.0 117.47 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.579 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -144.5 170.33 16.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.1 t-105 -118.36 141.01 48.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 36' ' ' LEU . 92.5 m-85 -136.62 158.42 44.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 31' ' ' ILE . 37.1 t -152.26 161.84 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.439 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 44.9 mt -124.87 91.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 1.5 ttpt -80.62 -89.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 1.01 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.9 t30 -102.18 78.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 mttt 42.73 31.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 33' ' ' ASN . 88.4 t -130.19 127.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.532 HD11 ' CD1' ' A' ' 29' ' ' PHE . 3.4 tm? -82.05 96.71 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 25.4 m-85 -85.28 127.19 34.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.532 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 2.4 m -83.66 157.46 22.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -154.37 -172.76 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.787 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -129.08 -44.93 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.25 -175.61 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.2 t -71.93 -52.1 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -116.68 60.02 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -64.96 146.38 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -54.83 -33.33 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -156.67 -179.76 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 38' ' ' THR . . . -94.78 145.34 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 40' ' ' ALA . 32.8 mt -70.94 -41.42 71.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -146.21 165.71 28.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.453 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -141.68 134.19 28.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.494 ' C ' HG13 ' A' ' 35' ' ' VAL . 38.6 tp60 -155.12 132.86 6.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.05 156.09 42.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 36' ' ' LEU . 9.2 mt -100.28 16.96 22.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' C ' HD23 ' A' ' 54' ' ' LEU . 6.8 tt -76.7 124.04 27.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 89.43 -30.68 5.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -63.73 176.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -150.13 171.07 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.475 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.23 153.47 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.403 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -160.87 140.51 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.946 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.5 tm? -72.84 140.49 47.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.946 ' N ' HD13 ' A' ' 60' ' ' LEU . 7.3 p -124.63 140.2 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -101.71 12.31 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.899 ' H ' HG22 ' A' ' 61' ' ' VAL . 11.0 p-10 -38.2 131.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.4 OUTLIER 82.65 -53.69 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 3.3 m-20 155.42 -22.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' ASN . 49.4 m -37.45 130.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.87 109.68 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.642 ' HA ' HD21 ' A' ' 60' ' ' LEU . 6.4 m 39.2 39.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -112.29 -14.06 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG12 ' CB ' ' A' ' 66' ' ' SER . 1.4 p -142.75 146.01 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.702 ' CD1' HG23 ' A' ' 91' ' ' THR . 2.4 p90 -136.63 178.1 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.3 153.31 47.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.504 HD23 ' HD2' ' A' ' 80' ' ' PHE . 58.2 tp -102.46 101.73 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.423 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -84.17 148.84 26.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 48.2 t60 -137.22 96.28 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER 82.01 0.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.423 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 125.19 -22.33 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.4 mtp -95.45 143.08 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.44 125.56 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.507 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 35.6 t80 -97.48 -34.86 10.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 8.8 m-85 -170.71 156.67 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 17' ' ' SER . 21.2 t -100.79 154.98 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 58.4 m-85 -150.7 126.4 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -112.89 148.55 34.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.722 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -118.31 145.29 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.79 -61.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.71 169.08 9.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.06 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -48.51 -35.21 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.574 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.5 m -67.69 -48.12 67.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.824 HG22 HD11 ' A' ' 95' ' ' ILE . 98.9 m -47.09 -58.98 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.493 ' HA ' HD12 ' A' ' 95' ' ' ILE . 14.5 mm100 -39.77 -44.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.17 -66.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.084 ' CE2' HD11 ' A' ' 14' ' ' LEU . 35.7 m95 -46.53 -45.69 18.76 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.824 HD11 HG22 ' A' ' 91' ' ' THR . 93.5 mt -52.01 -71.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -47.13 -44.13 21.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.54 -37.24 70.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.475 ' CB ' HG21 ' A' ' 58' ' ' VAL . 11.7 m-85 -83.18 -30.16 28.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 103' ' ' VAL . 49.6 mt-30 -73.49 -57.8 3.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.43 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -50.98 -34.87 30.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.1 -59.22 8.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 98' ' ' PHE . 25.2 p -53.56 -42.4 67.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 99' ' ' GLN . 20.1 m -84.29 -162.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.4 m -155.45 97.83 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.9 -173.52 0.33 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.17 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.474 1.776 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.5 p -135.54 -53.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 t -161.68 97.13 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.79 134.05 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 109.972 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -95.7 101.83 13.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.62 -125.27 8.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t 73.29 -59.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.05 168.03 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.74 -76.15 0.57 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 m -52.73 164.74 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 0.778 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.0 m -75.28 -60.98 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 tpt -144.79 121.8 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -151.38 145.85 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.04 135.66 2.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.775 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 13.3 m-85 -49.81 138.86 14.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.906 HD11 ' CE2' ' A' ' 94' ' ' TRP . 69.6 mt -139.85 160.31 40.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -107.32 112.86 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -92.73 138.52 31.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.46 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 16.3 t -148.81 167.26 26.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.042 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -112.24 29.97 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.63 176.85 22.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -74.48 -47.74 31.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 0.803 . . . . 0.0 110.039 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -83.08 45.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -130.81 155.77 80.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.54 15.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 97.1 m95 -77.3 156.92 31.01 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -137.96 113.72 9.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 36.1 t-80 -68.65 101.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.55 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -123.98 167.93 13.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -109.75 141.73 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.52 155.55 46.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.3 t -148.46 153.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.3 mt -115.59 115.97 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -143.16 138.46 29.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.0 t30 54.91 30.68 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mttt 65.25 23.51 12.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 33' ' ' ASN . 46.4 t -116.7 142.76 29.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.1 tm? -97.89 102.33 14.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -89.89 135.2 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 m -92.28 152.4 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 58.8 m-85 -152.58 -176.65 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.06 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.848 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -118.61 -40.14 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' O ' ' OD2' ' A' ' 44' ' ' ASP . . . -148.76 -162.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.8 t -106.05 -1.84 23.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 44' ' ' ASP . 1.8 tp10 -101.3 -15.6 17.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -40.96 161.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -15.14 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.11 175.04 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -87.45 140.4 29.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.848 HD11 ' HB2' ' A' ' 40' ' ' ALA . 76.7 mt -67.31 -41.36 85.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -148.83 167.85 24.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.03 132.79 30.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -146.44 119.19 5.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.97 149.92 37.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 mt -97.59 37.91 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.8 106.56 18.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.63 -19.93 52.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.412 ' C ' ' OG1' ' A' ' 57' ' ' THR . 32.9 m-85 -64.48 -177.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 73' ' ' LEU . 7.3 m -156.56 172.7 18.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -146.97 151.07 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.401 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.5 t -157.84 142.7 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.945 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.6 tm? -73.62 141.9 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.945 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -124.04 137.72 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -103.16 117.31 34.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -106.77 -73.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 11.1 pt-20 177.05 117.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 4.5 t-20 86.13 -44.72 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -42.54 -72.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.04 76.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.721 ' HA ' HD21 ' A' ' 60' ' ' LEU . 68.5 m 62.48 35.21 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.027 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.774 ' HE2' ' HB2' ' A' ' 88' ' ' ALA . 16.1 mttt -109.44 -19.36 13.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -127.39 144.64 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.633 ' HA ' HG12 ' A' ' 61' ' ' VAL . 1.4 p90 -135.84 177.72 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.585 ' HG3' HG11 ' A' ' 61' ' ' VAL . 31.3 mt-30 -129.65 155.16 46.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 57' ' ' THR . 56.7 tp -105.64 98.23 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -80.63 146.92 30.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 60.0 t60 -137.09 95.73 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 82.37 3.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 122.44 -25.1 6.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 143.97 25.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.52 133.48 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.459 ' HD2' HD23 ' A' ' 73' ' ' LEU . 28.2 t80 -101.59 -37.78 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -163.9 165.09 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.8 t -114.96 117.08 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 55.8 m-85 -110.59 123.14 49.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -106.67 153.98 21.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 69' ' ' LYS . . . -126.18 156.21 40.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.92 -48.99 19.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -101.88 163.4 12.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.774 ' HB2' ' HE2' ' A' ' 69' ' ' LYS . . . -83.63 -58.0 2.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -42.16 -39.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.615 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.1 m -60.69 -48.11 83.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.413 HG22 HD11 ' A' ' 95' ' ' ILE . 16.0 m -43.64 -56.11 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -49.25 -40.4 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 5.0 mtt180 -63.91 -50.97 66.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.906 ' CE2' HD11 ' A' ' 14' ' ' LEU . 23.5 m95 -60.51 -44.58 95.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.011 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 60' ' ' LEU . 76.6 mt -56.8 -66.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.89 -32.95 55.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -68.25 -37.71 81.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.654 ' HB3' HG21 ' A' ' 58' ' ' VAL . 3.7 m-85 -82.21 -26.33 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -78.44 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.641 ' HA ' HG12 ' A' ' 103' ' ' VAL . 1.5 mt-10 -46.99 -28.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.82 -61.86 4.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 98' ' ' PHE . 38.3 p -57.16 -26.08 59.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 0.0 110.45 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.765 HG22 ' H ' ' A' ' 104' ' ' SER . 4.8 p -102.13 -177.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.765 ' H ' HG22 ' A' ' 103' ' ' VAL . 10.6 t -133.02 18.42 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.99 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 54.24 -146.44 24.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 112.84 3.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.551 1.816 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.2 m -120.4 162.9 18.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.2 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.502 0.192 . . . . 0.0 111.033 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.411 ' CB ' HG22 ' A' ' 30' ' ' VAL . 89.9 p -159.5 122.66 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.495 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 177.81 149.94 8.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.616 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 34.9 m-85 -60.66 135.7 57.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.657 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 2.1 mt -137.7 178.24 7.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -119.52 116.0 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -91.5 143.66 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -152.81 157.74 41.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.63 19.67 15.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.73 -170.88 22.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.5 m -79.9 150.65 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.29 -0.55 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -96.38 156.05 37.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.37 20.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 98.7 m95 -77.01 161.58 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.007 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -135.79 114.35 11.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.616 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 19.2 t-160 -79.76 108.85 13.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.57 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mt -141.43 165.7 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.495 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.6 t-105 -102.19 141.15 35.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.014 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -133.08 156.39 47.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 11' ' ' SER . 29.4 t -150.18 152.97 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.9 mt -114.24 110.9 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.493 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 14.5 ttpp -138.19 140.56 39.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 51.9 25.38 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 68.39 30.33 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' C ' ' A' ' 51' ' ' GLN . 96.2 t -122.36 137.47 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.767 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.0 tm? -92.09 97.92 11.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.521 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 48.9 m-85 -85.33 150.48 24.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.1 m -106.93 145.62 32.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.435 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 55.5 m-85 -145.12 -172.55 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.894 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -132.31 -46.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.13 147.32 7.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -69.05 140.1 54.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.894 HD11 ' HB2' ' A' ' 40' ' ' ALA . 48.3 mt -67.52 -40.34 85.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -150.29 166.6 29.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.521 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -142.03 128.17 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.478 ' C ' HG13 ' A' ' 35' ' ' VAL . 1.8 mm-40 -140.62 122.32 9.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 146.03 32.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 36' ' ' LEU . 9.6 mt -92.75 36.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.23 103.97 16.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.29 -20.22 45.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -67.59 176.35 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -150.39 171.12 17.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.07 155.97 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -165.2 153.51 11.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.821 HD23 HD11 ' A' ' 95' ' ' ILE . 1.4 tm? -78.28 144.87 35.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.648 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.2 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.659 ' HA ' HD11 ' A' ' 60' ' ' LEU . 2.0 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -120.33 6.12 10.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 83' ' ' PHE . 2.2 p -136.17 137.09 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' HD1' HG23 ' A' ' 91' ' ' THR . 1.7 p90 -125.29 177.98 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -130.3 143.49 50.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.654 HD23 ' HD2' ' A' ' 80' ' ' PHE . 50.8 tp -95.46 101.66 13.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -84.14 147.97 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 34.3 t-80 -137.03 96.4 3.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 84.12 -6.65 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 132.93 -23.16 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.3 ptm -94.44 143.81 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.8 124.7 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.654 ' HD2' HD23 ' A' ' 73' ' ' LEU . 20.4 t80 -91.45 -41.04 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 18.4 m-85 -167.43 156.55 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.1 t -95.65 160.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 70' ' ' VAL . 58.3 m-85 -153.91 128.63 9.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -109.6 133.59 52.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.807 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -103.9 155.63 18.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.81 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -113.88 -176.51 2.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.08 83.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -49.77 51.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.553 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.4 m -57.56 -57.33 13.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.807 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 60.2 m -39.26 -57.27 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -48.66 -46.78 40.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 97' ' ' ALA . 5.2 mtm180 -56.58 -57.67 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.657 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 64.2 m95 -54.92 -45.84 74.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.821 HD11 HD23 ' A' ' 60' ' ' LEU . 32.4 mt -53.66 -70.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -51.96 -34.58 42.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' ARG . . . -63.19 -38.79 92.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.63 ' O ' HG23 ' A' ' 102' ' ' THR . 10.5 m-85 -82.56 -26.37 32.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.2 mm-40 -76.22 -46.31 28.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -73.52 -4.05 31.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.81 -44.16 6.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 98' ' ' PHE . 12.6 p -72.95 -33.78 66.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 99' ' ' GLN . 24.6 m . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.487 0.184 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.428 ' CB ' HG22 ' A' ' 30' ' ' VAL . 22.6 p -172.66 133.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.485 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 162.08 147.74 5.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.491 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 41.5 m-85 -58.97 131.12 50.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 0.81 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.819 HD11 ' CE2' ' A' ' 94' ' ' TRP . 22.8 mt -133.22 148.5 52.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -95.65 107.42 19.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 1.2 ttm180 -90.88 126.29 36.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.562 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -129.04 177.24 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.975 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.67 35.78 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' OG ' ' A' ' 17' ' ' SER . . . 140.99 -162.7 26.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -91.27 -57.92 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.8 -7.11 36.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -80.19 155.88 74.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.82 41.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CE3' ' HB3' ' A' ' 17' ' ' SER . 96.1 m95 -98.09 157.93 15.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 108.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -134.08 120.64 20.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.491 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 50.0 t-80 -75.77 115.8 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.649 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mt -145.85 169.89 17.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 33.7 t-105 -115.51 143.26 45.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.481 ' HB3' HD21 ' A' ' 36' ' ' LEU . 79.8 m-85 -139.25 160.71 39.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' ILE . 13.9 t -152.01 163.46 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.476 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 42.8 mt -125.71 89.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -76.26 -102.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.771 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.3 t-20 -89.14 66.71 7.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 56.33 19.49 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 33' ' ' ASN . 91.0 t -113.42 132.35 62.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 29' ' ' PHE . 1.8 tm? -86.88 97.67 10.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 20.8 m-85 -87.02 135.67 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.569 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 7.2 m -90.78 140.86 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 46.1 m-85 -140.43 -171.49 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.751 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -135.18 -46.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.37 163.82 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 38' ' ' THR . . . -85.26 147.89 26.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 40' ' ' ALA . 32.1 mt -71.04 -41.48 70.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -150.24 171.99 16.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -140.8 142.98 34.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.438 ' C ' HG13 ' A' ' 35' ' ' VAL . 34.8 tp60 -158.37 125.84 2.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 131.57 14.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 98' ' ' PHE . 5.5 mt -68.19 -32.99 73.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.537 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -46.5 111.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' HD13 ' A' ' 54' ' ' LEU . . . 116.03 -38.9 2.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -71.39 -173.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.5 m -152.84 167.19 29.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.609 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.55 156.89 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 t -164.3 151.95 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.361 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.784 HD23 HD11 ' A' ' 95' ' ' ILE . 2.7 tm? -76.69 142.03 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.503 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.3 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -123.44 17.27 9.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 83' ' ' PHE . 2.1 p -149.18 140.98 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -128.78 174.63 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -127.62 145.61 50.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 98' ' ' PHE . 48.0 tp -95.0 97.98 10.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -81.54 145.78 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -137.4 112.73 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp 68.61 8.65 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.33 2.56 35.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.19 132.27 55.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 0.752 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -54.67 134.4 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.454 ' HD2' HD23 ' A' ' 73' ' ' LEU . 78.6 t80 -112.31 -30.39 7.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CE2' ' NH1' ' A' ' 16' ' ' ARG . 2.4 m-85 -170.9 158.5 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.94 157.07 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 70.3 m-85 -151.73 122.52 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -102.68 145.43 29.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.579 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -106.39 158.04 17.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -51.56 37.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -117.08 -179.92 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.75 -57.02 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -47.13 -41.23 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 93' ' ' ARG . 22.9 m -56.3 -60.92 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.579 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -39.89 -50.94 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -54.64 -43.67 72.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 6.5 mtm180 -59.29 -48.01 83.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.819 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.3 m95 -63.42 -48.78 76.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 108.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.784 HD11 HD23 ' A' ' 60' ' ' LEU . 32.2 mt -50.57 -68.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.8 -40.45 60.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -57.94 -49.72 75.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CB ' HG21 ' A' ' 58' ' ' VAL . 3.4 m-85 -68.25 -45.94 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.57 ' O ' HG22 ' A' ' 103' ' ' VAL . 25.7 mm-40 -60.65 -59.28 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 16.9 mt-10 -55.55 -24.9 34.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.65 -54.48 7.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.1 p -56.13 -35.22 66.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.371 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 99' ' ' GLN . 34.8 m . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.489 0.185 . . . . 0.0 111.029 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 p -178.4 148.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.49 161.57 9.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 49.6 m-85 -66.85 134.33 51.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.775 HD11 ' CE2' ' A' ' 94' ' ' TRP . 51.7 mt -136.08 152.62 51.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.455 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 27.8 m-85 -94.95 113.21 24.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -93.14 139.9 30.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.497 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -142.65 168.17 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -104.48 22.17 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.1 -157.99 20.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 m -87.55 149.9 24.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 0.806 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm 76.88 1.23 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -99.69 156.14 35.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 153.31 41.72 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.497 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.5 m95 -91.41 158.3 16.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HE2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -135.43 120.01 18.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.651 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 33.8 t-80 -79.4 108.62 13.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.559 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.51 HD11 ' HE2' ' A' ' 25' ' ' LYS . 5.0 mt -136.18 169.76 17.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -109.16 130.37 55.49 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.78 135.71 48.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.2 t -128.77 154.69 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.2 mt -116.03 88.96 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -117.33 140.85 49.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.4 t-20 51.61 41.33 28.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.62 21.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 33' ' ' ASN . 96.2 t -116.05 127.59 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.7 tm? -82.22 94.63 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.526 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 52.4 m-85 -80.52 152.09 28.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.5 m -106.56 139.55 40.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 56.0 m-85 -143.63 -176.92 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -130.23 -46.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -164.26 150.53 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -78.13 141.69 38.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 40' ' ' ALA . 45.2 mt -67.88 -39.5 83.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -152.65 167.78 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.526 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 1.4 p -142.23 119.69 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.687 ' C ' HG13 ' A' ' 35' ' ' VAL . 2.0 mm-40 -134.71 132.12 20.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 130.13 13.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.767 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.754 ' O ' HG22 ' A' ' 102' ' ' THR . 14.8 mt -67.14 -20.99 65.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 55' ' ' GLY . 5.1 tt -59.84 127.17 30.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.522 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 101.43 -42.42 1.92 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.4 ' C ' ' OG1' ' A' ' 57' ' ' THR . 39.8 m-85 -64.51 -177.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 2.7 m -153.86 170.3 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.546 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -147.36 158.5 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -163.51 141.77 7.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.446 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 95' ' ' ILE . 3.3 tm? -71.35 139.26 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.524 HG11 ' HG3' ' A' ' 72' ' ' GLN . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HA ' ' OG1' ' A' ' 91' ' ' THR . 0.1 OUTLIER -113.13 18.03 18.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.44 ' O ' HD22 ' A' ' 60' ' ' LEU . 2.5 p -146.33 143.17 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -132.69 177.75 7.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.524 ' HG3' HG11 ' A' ' 61' ' ' VAL . 32.7 mt-30 -128.76 145.67 51.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.549 HD13 ' CE1' ' A' ' 98' ' ' PHE . 29.2 tp -93.47 92.96 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.726 HD23 ' C ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -78.77 153.27 30.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 14.7 t-80 -137.12 104.7 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 75.38 -55.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.76 35.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.726 ' C ' HD23 ' A' ' 74' ' ' LEU . 1.3 ptt? -156.78 146.17 20.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.737 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.98 139.37 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.426 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 41.8 t80 -115.56 -35.49 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.426 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 3.8 m-85 -167.79 157.39 10.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 83' ' ' PHE . 46.8 t -101.75 160.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.402 ' N ' HG12 ' A' ' 82' ' ' VAL . 61.8 m-85 -152.47 124.67 8.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.693 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -93.71 158.84 15.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.72 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -129.7 150.16 51.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.77 -66.68 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.31 -178.63 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -59.61 -59.16 5.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -40.53 -53.69 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.634 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 m -51.27 -59.44 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.726 HG22 HD11 ' A' ' 95' ' ' ILE . 10.5 m -39.31 -58.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -47.12 -43.39 20.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -60.77 -54.26 47.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.775 ' CE2' HD11 ' A' ' 14' ' ' LEU . 75.8 m95 -58.67 -52.85 63.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.726 HD11 HG22 ' A' ' 91' ' ' THR . 72.5 mt -45.4 -66.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -47.22 70.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 -38.46 37.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.549 ' CE1' HD13 ' A' ' 73' ' ' LEU . 4.4 m-85 -78.92 -36.1 42.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.675 ' O ' HG22 ' A' ' 103' ' ' VAL . 21.8 mm-40 -67.27 -55.49 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.406 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 1.5 mt-10 -60.03 -32.14 70.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.51 -57.95 14.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.754 HG22 ' O ' ' A' ' 53' ' ' LEU . 40.5 p -54.72 -41.72 70.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.6 m . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 tpt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.551 0.215 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.41 ' CB ' HG22 ' A' ' 30' ' ' VAL . 91.1 p -171.84 145.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.551 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 159.47 153.33 6.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.589 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 56.1 m-85 -61.3 128.14 34.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.795 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 7.9 mt -130.38 153.83 48.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -96.59 110.1 22.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -90.81 135.3 33.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -142.79 157.24 44.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.83 18.35 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.99 -165.72 23.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 m -79.4 170.97 15.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.039 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm 52.06 24.11 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -120.58 156.15 56.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.95 22.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.5 m95 -79.86 136.27 36.65 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -108.53 115.11 29.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.589 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 6.7 t-80 -79.44 106.6 11.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -137.62 167.21 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.551 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 55.2 t-105 -105.39 142.91 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.523 ' CD1' HD11 ' A' ' 36' ' ' LEU . 99.3 m-85 -138.39 149.27 45.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 11' ' ' SER . 8.8 t -139.24 155.34 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -112.94 93.65 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 37' ' ' TYR . 15.8 ttpt -122.33 132.04 54.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.745 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.4 t30 54.22 38.6 29.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.21 25.14 10.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 33' ' ' ASN . 59.5 t -116.59 130.98 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.0 tm? -89.0 93.53 9.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 46.3 m-85 -79.22 149.95 31.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.2 m -100.4 142.47 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 55.2 m-85 -146.9 177.43 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -127.34 -45.13 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.84 176.63 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -90.16 145.53 24.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' A' ' 40' ' ' ALA . 39.1 mt -74.71 -39.57 61.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -151.07 173.47 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.7 131.8 26.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -143.8 115.84 5.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.0 146.69 32.96 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mt -93.08 39.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.13 108.09 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.42 -26.65 14.63 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.562 1.164 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.488 ' CE2' ' CD2' ' A' ' 75' ' ' HIS . 44.7 m-85 -58.08 178.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.409 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 3.7 m -154.86 169.85 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -141.93 159.67 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 1.3 t -171.45 159.91 5.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.884 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -77.86 143.1 38.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.884 ' N ' HD13 ' A' ' 60' ' ' LEU . 5.8 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.421 ' O ' HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 10.2 mttt -103.81 4.83 35.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 83' ' ' PHE . 7.0 p -127.48 140.54 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -129.64 177.55 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -131.31 143.96 50.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.546 HD23 ' HD2' ' A' ' 80' ' ' PHE . 64.3 tp -93.87 99.0 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -82.81 147.16 28.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.488 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 15.8 t-80 -137.13 97.62 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.625 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 1.4 mtmp? 83.58 -2.95 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.471 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 128.55 -23.08 5.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.29 148.22 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.6 t -73.8 127.67 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.546 ' HD2' HD23 ' A' ' 73' ' ' LEU . 35.5 t80 -98.02 -38.28 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 6.1 m-85 -164.21 158.85 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.0 t -100.53 159.93 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 70' ' ' VAL . 50.5 m-85 -152.62 128.21 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -113.03 131.83 55.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.803 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -101.95 154.88 18.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -74.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -99.12 -179.26 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -78.62 -53.45 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -37.82 6.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -64.29 -54.07 39.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.803 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 16.6 m -41.33 -51.6 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 92' ' ' GLN . 19.4 mm100 -54.43 -46.01 73.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 6.5 mtm180 -56.5 -43.66 79.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.795 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 27.9 m95 -70.04 -49.62 49.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.011 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.425 HD11 HD23 ' A' ' 60' ' ' LEU . 31.1 mt -50.76 -68.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -50.62 -41.63 55.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -56.03 -42.68 76.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.477 ' CB ' HG21 ' A' ' 58' ' ' VAL . 16.8 m-85 -77.82 -39.45 43.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.579 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.0 mm-40 -62.39 -48.07 81.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.491 ' HA ' HG22 ' A' ' 103' ' ' VAL . 2.6 mt-10 -69.08 -9.56 53.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.29 -41.71 7.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 98' ' ' PHE . 60.1 p -74.27 -33.0 63.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 0.809 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.2 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.557 ' HB2' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.488 0.185 . . . . 0.0 111.001 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 p -172.46 125.4 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.59 149.98 7.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -59.47 127.99 34.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.984 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 2.4 mt -138.25 139.99 39.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 23.8 m-85 -83.12 114.83 21.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 82' ' ' VAL . 1.6 ttp180 -102.16 144.37 30.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 t -141.12 171.39 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.041 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 16.02 26.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.82 -159.49 23.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 m -85.83 151.12 24.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 80.25 -3.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -96.88 156.13 36.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 152.18 40.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -91.31 141.76 28.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 108.029 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -139.33 108.49 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -72.46 143.59 48.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.659 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -150.02 168.12 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -96.6 126.18 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.443 ' HB3' HD21 ' A' ' 36' ' ' LEU . 83.2 m-85 -126.26 145.29 50.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -141.88 121.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.557 HD12 ' HB2' ' A' ' 10' ' ' MET . 95.7 mt -89.11 89.91 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.82 96.72 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.11 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -143.81 17.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 86.9 t -116.15 134.09 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.835 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.8 tm? -99.91 96.51 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 43.4 m-85 -86.55 140.96 29.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.3 m -95.02 150.33 20.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 38.7 m-85 -147.86 -170.49 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.661 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -126.97 -43.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -167.52 145.04 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -71.17 141.41 50.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 40' ' ' ALA . 72.0 mt -70.48 -39.13 74.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -153.91 169.32 23.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -142.36 127.46 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -144.71 124.65 7.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.499 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.03 148.63 35.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.835 HD21 ' HB2' ' A' ' 36' ' ' LEU . 1.8 mt -92.98 30.25 1.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -87.67 113.83 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.571 ' N ' HD22 ' A' ' 54' ' ' LEU . . . 95.67 -34.5 4.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 52' ' ' PRO . 51.5 m-85 -52.59 179.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -154.06 171.56 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.553 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -144.62 150.63 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -157.96 156.05 30.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.899 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.1 tm? -87.22 143.49 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.899 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.655 ' HA ' HD11 ' A' ' 60' ' ' LEU . 8.2 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HG2' ' HB2' ' A' ' 88' ' ' ALA . 11.0 mttt -124.31 25.48 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.452 HG13 HG13 ' A' ' 61' ' ' VAL . 6.4 p -149.82 140.14 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.1 p90 -135.22 177.97 7.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -133.57 146.24 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.635 HD23 ' HD2' ' A' ' 80' ' ' PHE . 49.2 tp -93.75 98.96 11.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.36 147.59 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.551 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 16.0 t-80 -137.52 109.09 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 6.4 mtpt 67.83 9.27 7.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.53 -18.31 20.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.83 133.99 42.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.19 138.21 19.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.635 ' HD2' HD23 ' A' ' 73' ' ' LEU . 19.2 t80 -108.8 -39.39 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-85 -170.62 166.98 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 13.7 t -103.05 161.49 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 75.5 m-85 -153.89 126.14 7.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 140.47 39.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -107.42 156.79 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.38 -60.03 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.45 -176.96 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . . . -69.45 -60.53 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -39.56 -40.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' THR . 3.7 m -61.3 -55.38 32.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.682 HG22 HD12 ' A' ' 95' ' ' ILE . 16.5 m -37.64 -54.04 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.33 -47.89 82.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 10.0 mtm180 -52.49 -49.04 65.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.984 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.7 m95 -65.54 -50.51 64.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.033 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.682 HD12 HG22 ' A' ' 91' ' ' THR . 26.1 mt -50.94 -66.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.81 -38.7 61.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -62.09 -31.0 71.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.553 ' CB ' HG21 ' A' ' 58' ' ' VAL . 6.3 m-85 -85.28 -33.16 22.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.673 ' O ' HG22 ' A' ' 103' ' ' VAL . 21.2 mm-40 -69.0 -55.54 10.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -44.38 -39.71 4.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.1 -65.89 3.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.3 p -50.31 -44.23 54.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 99' ' ' GLN . 17.5 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.496 0.189 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.2 p -161.08 160.87 30.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.543 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 141.47 167.13 11.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.16 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.634 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 23.6 m-85 -75.46 130.81 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.726 HD11 ' CE2' ' A' ' 94' ' ' TRP . 26.1 mt -132.29 151.56 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -97.89 114.98 27.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -99.88 112.53 24.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 2.1 t -107.23 167.46 9.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 30.56 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.532 ' O ' HG21 ' A' ' 82' ' ' VAL . . . 156.14 -137.85 5.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB2' ' CE ' ' A' ' 21' ' ' LYS . 14.7 m -105.66 -71.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER -76.8 2.92 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -69.93 156.06 92.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 126.05 9.75 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 76.3 m95 -70.23 166.23 20.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -136.1 107.64 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.634 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 6.7 t-80 -66.12 110.39 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.642 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -137.09 167.98 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 73.3 t-105 -107.65 139.68 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.029 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.5 154.43 50.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -149.94 141.16 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.4 mt -104.37 97.75 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -123.35 136.29 54.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.542 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.7 t30 55.4 33.8 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.16 21.52 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 33' ' ' ASN . 63.4 t -115.18 131.1 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.671 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.0 tm? -87.99 91.8 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.495 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 52.9 m-85 -79.26 146.08 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 m -100.86 155.73 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 73.7 m-85 -157.43 -176.58 6.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.696 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -124.7 -45.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.98 154.2 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -78.54 137.81 38.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 40' ' ' ALA . 45.0 mt -66.35 -40.26 89.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -149.52 166.89 27.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.495 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -141.44 121.13 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.496 ' C ' HG13 ' A' ' 35' ' ' VAL . 10.8 tp60 -134.99 125.55 17.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.79 7.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.492 ' O ' HG22 ' A' ' 102' ' ' THR . 12.4 mt -55.61 -25.25 37.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 54' ' ' LEU . 1.1 tm? -56.74 115.29 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.553 ' N ' HD13 ' A' ' 54' ' ' LEU . . . 109.36 -34.81 5.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.674 ' CE2' ' CD2' ' A' ' 75' ' ' HIS . 48.4 m-85 -77.09 -179.68 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 58' ' ' VAL . 3.0 m -151.45 175.7 12.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.569 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -147.04 157.13 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.4 t -161.79 152.5 17.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.6 tm? -77.43 143.12 38.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.869 ' N ' HD13 ' A' ' 60' ' ' LEU . 1.8 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.227 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.648 ' HA ' HD11 ' A' ' 60' ' ' LEU . 7.2 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -123.63 25.21 8.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.657 HG13 HG13 ' A' ' 61' ' ' VAL . 4.1 p -152.53 148.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 8.6 p90 -138.55 173.18 11.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.12 145.95 49.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 98' ' ' PHE . 49.9 tp -95.38 97.73 10.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -79.98 146.31 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.674 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 53.3 t-80 -137.19 94.94 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 82.2 13.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 110.96 -25.5 14.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.7 mtm -88.41 144.22 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.4 t -75.23 133.9 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -98.92 -47.54 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -159.11 173.98 15.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 19' ' ' GLY . 5.3 t -115.11 121.48 67.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 76.8 m-85 -113.57 122.91 48.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -103.2 141.04 36.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -106.26 150.5 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.0 -71.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -116.62 -175.71 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -53.86 51.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -45.13 -58.09 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 m -45.52 -55.92 5.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.909 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 28.6 m -44.56 -62.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -44.34 -57.83 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.72 -64.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.726 ' CE2' HD11 ' A' ' 14' ' ' LEU . 59.2 m95 -48.08 -52.96 18.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.644 HD11 HD23 ' A' ' 60' ' ' LEU . 56.1 mt -46.32 -59.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -57.38 -46.55 83.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.39 -34.73 64.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.672 ' O ' HG23 ' A' ' 102' ' ' THR . 2.8 m-85 -81.1 -28.29 35.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.6 mm-40 -78.54 -54.92 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 103' ' ' VAL . 47.7 mt-10 -58.93 -35.29 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.18 -48.07 74.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 98' ' ' PHE . 17.8 p -63.82 -40.42 96.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 99' ' ' GLN . 19.7 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.526 0.203 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 p -145.04 154.81 42.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.482 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 152.1 136.95 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.413 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 56.2 m-85 -51.23 134.29 27.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.681 HD11 ' CE2' ' A' ' 94' ' ' TRP . 78.8 mt -136.19 156.17 49.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.529 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 26.5 m-85 -98.83 114.55 27.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -92.34 138.19 31.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -144.51 160.17 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -114.26 41.63 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.33 -174.73 21.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -75.21 -56.5 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 0.797 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -79.87 50.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -130.67 155.85 80.66 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.77 41.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 96.6 m95 -93.41 131.61 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HB3' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -110.93 114.02 27.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 3.1 t-160 -79.46 106.96 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 25' ' ' LYS . 1.6 mt -137.79 169.47 17.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.482 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 56.3 t-105 -104.94 142.81 34.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 108.024 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.83 153.46 49.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 31' ' ' ILE . 46.6 t -142.48 167.89 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.525 ' N ' HG12 ' A' ' 30' ' ' VAL . 52.4 mt -130.2 89.3 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 3.9 ttmt -113.05 129.23 56.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 62.89 24.77 14.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.85 6.34 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 82.5 t -98.35 131.77 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.7 tm? -85.17 94.42 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 57.6 m-85 -81.3 142.53 33.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 48' ' ' LEU . 1.9 m -97.53 149.15 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 68.6 m-85 -151.26 177.21 10.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.857 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -125.12 -44.55 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -161.44 176.29 11.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.05 139.76 30.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 40' ' ' ALA . 46.1 mt -69.67 -41.97 74.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -147.54 169.27 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.16 135.39 30.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.417 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 45.9 tp60 -152.99 123.31 3.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.95 144.75 30.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.741 ' O ' HG22 ' A' ' 102' ' ' THR . 7.0 mt -91.36 40.82 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.47 ' C ' HD23 ' A' ' 54' ' ' LEU . 7.3 tt -96.67 124.1 40.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.44 -11.62 58.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 75' ' ' HIS . 27.8 m-85 -79.44 -179.95 7.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 m -152.89 170.55 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.09 151.55 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.458 ' CG2' HD11 ' A' ' 74' ' ' LEU . 4.0 t -161.31 148.72 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.952 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.7 tm? -73.42 143.09 46.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.952 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.593 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -106.59 -0.24 23.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.5 146.11 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.4 p90 -134.94 177.75 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 82' ' ' VAL . 20.1 mt-30 -131.43 142.54 50.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 tp -93.96 96.19 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -79.87 147.56 31.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 11.8 t-80 -136.94 96.45 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 2.8 mtmp? 81.01 2.91 1.64 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 123.89 -26.0 6.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mtp -88.25 146.16 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.479 HG11 ' OE1' ' A' ' 72' ' ' GLN . 42.3 t -75.71 128.57 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -95.74 -40.78 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -161.96 167.69 24.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.626 HG22 ' HG2' ' A' ' 72' ' ' GLN . 40.2 t -117.85 116.68 52.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 59.6 m-85 -108.08 123.68 49.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.94 133.87 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.623 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -108.64 148.04 30.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.67 -65.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -88.8 168.18 12.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.24 -55.17 5.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -40.21 -54.86 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -46.76 -53.18 12.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.623 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 29.1 m -44.15 -60.0 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -53.39 -45.75 69.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 9.9 mtm180 -55.5 -49.99 71.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.681 ' CE2' HD11 ' A' ' 14' ' ' LEU . 39.9 m95 -64.21 -49.12 73.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 107.986 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.537 HG23 ' CG1' ' A' ' 58' ' ' VAL . 70.7 mt -53.24 -66.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -37.74 56.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -64.49 -37.39 87.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.551 ' HB3' HG21 ' A' ' 58' ' ' VAL . 11.1 m-85 -81.47 -22.38 38.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -82.47 -39.07 23.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.553 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER -78.48 -12.95 60.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.1 -60.72 4.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 53' ' ' LEU . 80.4 p -50.86 -36.86 39.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 110.43 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.553 HG22 ' HA ' ' A' ' 100' ' ' GLU . 20.9 m . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.512 0.196 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p -168.58 142.91 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.94 161.36 10.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -75.29 129.6 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.892 HD11 ' CE2' ' A' ' 94' ' ' TRP . 5.0 mt -134.94 144.9 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 15.4 m-85 -82.96 116.55 22.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.21 124.31 47.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.477 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 42.5 t -119.66 178.94 4.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.85 26.85 9.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.23 -145.03 13.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -95.2 -67.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mtmm -75.64 53.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -130.7 156.03 80.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.8 20.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.477 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 98.7 m95 -83.37 145.26 29.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -138.02 107.27 6.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -73.45 98.9 2.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.65 169.02 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -101.01 137.05 39.89 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' HB3' HD21 ' A' ' 36' ' ' LEU . 94.8 m-85 -137.92 145.73 42.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.2 t -137.67 123.52 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -88.81 92.59 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -117.12 136.57 52.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 54.12 30.66 12.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.83 22.6 11.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.592 HG13 ' C ' ' A' ' 51' ' ' GLN . 84.7 t -115.91 127.33 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' A' ' 29' ' ' PHE . 2.9 tm? -82.13 96.84 7.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -85.66 133.07 34.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.0 m -88.94 149.85 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 49.1 m-85 -149.51 -172.48 4.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.78 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -131.25 -45.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -164.03 175.68 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.47 146.15 26.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 40' ' ' ALA . 30.0 mt -71.93 -38.02 69.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -152.09 168.4 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.83 136.5 35.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.045 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.592 ' C ' HG13 ' A' ' 35' ' ' VAL . 1.5 mm-40 -155.6 128.42 4.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.471 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.98 128.44 11.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.585 ' O ' HG22 ' A' ' 102' ' ' THR . 38.4 mt -67.49 -12.77 61.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 55' ' ' GLY . 3.1 tt -65.67 130.33 42.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 94.37 -26.69 16.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.59 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 25.4 m-85 -82.83 -177.33 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.524 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.4 m -154.05 176.59 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.367 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.626 HG21 ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.19 155.95 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -162.32 156.95 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.86 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -83.32 144.33 29.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.86 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.729 ' HA ' HD11 ' A' ' 60' ' ' LEU . 2.7 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -130.36 6.78 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.671 HG13 HG13 ' A' ' 61' ' ' VAL . 7.4 p -138.73 142.04 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.5 p90 -135.81 169.01 18.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.645 ' HG2' HG22 ' A' ' 82' ' ' VAL . 29.4 mt-30 -122.88 150.35 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 57' ' ' THR . 57.1 tp -97.83 96.25 8.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.418 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -78.82 148.35 32.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 25.3 t-80 -137.13 95.0 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 2.7 mtmp? 82.98 -5.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.418 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 132.89 -22.55 4.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.3 mtt -94.64 141.56 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 0.796 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.25 137.74 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.472 ' HD2' HD23 ' A' ' 73' ' ' LEU . 20.9 t80 -106.98 -43.15 4.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -162.95 156.15 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.645 HG22 ' HG2' ' A' ' 72' ' ' GLN . 14.0 t -100.01 155.74 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.517 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 91.4 m-85 -148.14 132.29 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -111.1 145.26 38.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.8 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -114.69 154.95 27.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -67.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -119.91 -169.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.66 -44.62 63.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -51.9 -54.47 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.577 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.1 m -51.83 -57.78 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.8 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -40.39 -58.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -48.8 -51.35 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -52.06 -54.05 34.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.892 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.5 m95 -59.86 -51.16 70.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.029 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.723 HD11 HD23 ' A' ' 60' ' ' LEU . 17.1 mt -47.43 -68.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.9 -44.25 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.81 -30.89 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.698 ' O ' HG23 ' A' ' 102' ' ' THR . 1.9 m-85 -86.92 -27.33 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.561 ' O ' HG22 ' A' ' 103' ' ' VAL . 14.4 mm-40 -77.73 -53.17 7.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.455 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -56.74 -32.05 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.54 -50.92 45.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 98' ' ' PHE . 45.3 p -60.49 -39.77 88.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.4 m . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.489 0.185 . . . . 0.0 111.027 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.1 p -149.51 170.45 18.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.46 143.32 5.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -48.27 140.35 7.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.91 171.65 12.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.612 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 23.4 m-85 -125.78 105.17 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -92.38 136.83 32.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 t -138.64 178.75 6.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.65 26.05 9.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.98 -167.26 29.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -86.27 -47.33 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.746 . . . . 0.0 110.008 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -85.86 40.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -127.81 155.71 76.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.75 30.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -86.67 137.47 32.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -107.94 102.83 11.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.612 ' CD2' ' CD1' ' A' ' 15' ' ' TYR . 38.9 m170 -63.21 102.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -130.42 170.57 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -109.87 140.59 43.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 108.018 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -141.05 143.69 34.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -134.55 140.95 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 31' ' ' ILE . 64.7 mt -103.24 89.43 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -77.73 100.74 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.24 -79.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' LYS . 29.3 mttt -143.37 17.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 92.5 t -115.26 122.49 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.6 tm? -90.74 95.29 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 43.2 m-85 -82.81 159.23 22.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 48' ' ' LEU . 6.2 m -106.7 157.94 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.548 ' O ' HD23 ' A' ' 27' ' ' LEU . 59.1 m-85 -157.45 -179.03 7.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.871 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -124.78 -44.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.36 164.74 17.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -75.53 148.51 38.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.871 HD11 ' HB2' ' A' ' 40' ' ' ALA . 39.4 mt -76.61 -38.5 54.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -152.7 170.51 20.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -139.07 130.4 26.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.413 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 53.6 tp60 -150.04 123.53 4.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.04 156.39 42.79 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.472 1.775 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 36' ' ' LEU . 3.6 mt -97.15 30.62 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.433 ' C ' HD23 ' A' ' 54' ' ' LEU . 7.1 tt -88.56 123.56 33.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.22 -27.95 7.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -66.56 -177.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' LEU . 5.1 m -154.51 171.3 19.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.621 HG21 ' HB3' ' A' ' 98' ' ' PHE . 1.1 t -147.09 153.48 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -159.91 148.28 17.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.946 HD22 ' N ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -88.73 137.62 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.946 ' N ' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HA ' ' OG1' ' A' ' 91' ' ' THR . 3.7 tttt 175.17 -35.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 83' ' ' PHE . 2.0 p -100.26 143.23 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -131.81 177.77 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.551 ' HG2' HG22 ' A' ' 82' ' ' VAL . 29.3 mt-30 -129.86 146.61 51.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.3 tp -93.86 99.25 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -82.32 147.89 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.453 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 9.8 t-80 -137.2 108.05 6.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.453 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 3.6 mtpt 68.03 9.77 7.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.87 -24.37 10.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.97 134.87 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.16 135.5 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.403 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 47.2 t80 -108.51 -37.23 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 4.1 m-85 -166.86 172.93 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.551 HG22 ' HG2' ' A' ' 72' ' ' GLN . 16.8 t -114.66 156.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 50.0 m-85 -147.97 134.54 19.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -123.79 142.99 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.26 149.15 34.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.29 -61.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.16 178.25 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.47 12.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -49.04 -30.26 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.565 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.7 m -73.05 -41.21 64.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 95' ' ' ILE . 25.2 m -45.2 -65.92 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -38.74 -53.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -50.68 -64.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -49.48 -52.08 31.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 107.998 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 91' ' ' THR . 81.7 mt -49.22 -62.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -53.36 -45.15 69.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.34 80.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.621 ' HB3' HG21 ' A' ' 58' ' ' VAL . 5.9 m-85 -73.67 -14.36 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.611 ' O ' HG22 ' A' ' 103' ' ' VAL . 37.1 mt-30 -89.81 -62.16 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -44.95 -33.95 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.72 -70.67 0.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 53' ' ' LEU . 61.3 p -43.95 -41.19 5.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 99' ' ' GLN . 27.0 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.467 0.175 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.3 p -168.31 149.26 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.568 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 150.07 137.45 2.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.649 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 36.0 m-85 -41.41 134.9 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 85' ' ' ALA . 43.3 mt -131.12 172.3 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -116.85 101.29 8.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 9.9 ttt180 -91.87 125.37 36.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.559 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 28.8 t -132.65 166.39 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -108.07 28.18 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.18 -171.52 30.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -83.74 -45.52 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -88.28 17.38 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -101.6 155.85 35.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.12 15.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 90.7 m95 -73.2 158.12 35.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -129.81 108.1 9.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.649 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 15.6 t-80 -71.89 109.77 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -140.93 170.37 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 40.4 t-105 -110.56 140.31 44.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 107.979 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -139.71 150.49 44.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.1 t -135.3 159.77 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 57.8 mt -120.54 95.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -126.09 134.47 51.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 59.92 24.89 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.23 21.21 7.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.4 t -110.75 137.26 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.2 tm? -91.48 91.01 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -79.8 153.83 28.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.0 m -105.61 152.83 22.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 69.9 m-85 -155.4 178.67 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.88 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -125.46 -45.87 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.74 178.18 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -83.45 142.71 30.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.88 HD11 ' HB2' ' A' ' 40' ' ' ALA . 35.6 mt -71.75 -38.67 70.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -151.76 170.37 19.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.77 140.53 45.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -155.89 114.63 2.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.437 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 148.71 35.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 36' ' ' LEU . 6.7 mt -91.21 39.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.865 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -87.95 104.32 16.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.01 -28.13 17.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE1' ' O ' ' A' ' 52' ' ' PRO . 49.3 m-85 -56.22 175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LEU . 4.0 m -154.81 169.2 24.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.688 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -140.81 154.28 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 t -161.5 124.78 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 95' ' ' ILE . 3.4 tm? -62.08 141.78 57.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.683 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.693 ' HA ' HD21 ' A' ' 60' ' ' LEU . 17.7 t . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.91 7.42 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.431 ' O ' HD22 ' A' ' 60' ' ' LEU . 2.2 p -152.08 134.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.474 ' HD1' HG23 ' A' ' 91' ' ' THR . 4.0 p90 -125.36 175.31 7.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.441 ' HG2' HG22 ' A' ' 82' ' ' VAL . 28.6 mt-30 -126.92 152.42 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.6 HD23 ' HD2' ' A' ' 80' ' ' PHE . 32.4 tp -103.83 96.76 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -78.9 147.15 33.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -137.07 99.7 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 78.05 4.43 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 122.0 -27.44 6.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.7 142.56 27.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.2 t -70.34 134.04 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.6 ' HD2' HD23 ' A' ' 73' ' ' LEU . 13.4 t80 -99.21 -42.31 7.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 11.7 m-85 -165.98 160.3 16.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.441 HG22 ' HG2' ' A' ' 72' ' ' GLN . 11.2 t -105.55 114.06 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 48.0 m-85 -105.19 132.39 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -127.83 123.51 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -84.6 149.52 25.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -40.55 -67.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.61 179.73 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.72 -42.3 15.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.425 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 40.8 m170 -53.44 -31.54 45.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -72.82 -42.49 63.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.884 HG22 HD11 ' A' ' 95' ' ' ILE . 92.4 m -44.5 -61.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -39.83 -60.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -48.64 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.546 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 59.4 m95 -48.1 -55.44 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 107.981 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.884 HD11 HG22 ' A' ' 91' ' ' THR . 56.0 mt -43.78 -64.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -54.08 -43.55 70.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -49.37 -35.65 19.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.688 ' CB ' HG21 ' A' ' 58' ' ' VAL . 16.6 m-85 -85.11 -42.22 14.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 103' ' ' VAL . 20.7 mm-40 -62.13 -50.3 72.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.437 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -70.18 -10.55 59.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.32 -57.08 3.04 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 98' ' ' PHE . 33.6 p -60.1 -38.91 84.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 99' ' ' GLN . 20.1 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.523 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.518 0.199 . . . . 0.0 111.013 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -178.8 168.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.956 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.56 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 134.59 148.4 5.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -60.39 132.88 55.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.882 HD11 ' CE2' ' A' ' 94' ' ' TRP . 32.9 mt -131.71 177.25 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.788 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 21.1 m-85 -123.96 107.18 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 15.2 ttt180 -91.19 107.46 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -107.93 177.97 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.9 5.15 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.74 -150.28 10.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.02 -56.23 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 110.031 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -80.43 5.56 14.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -82.43 156.26 68.65 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 137.4 21.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 97.8 m95 -78.99 151.45 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -122.8 103.22 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.788 ' CD2' ' CD1' ' A' ' 15' ' ' TYR . 36.8 m170 -67.66 102.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mt -132.98 169.95 16.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 65.4 t-105 -110.22 145.51 37.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CZ ' ' HD2' ' A' ' 16' ' ' ARG . 75.0 m-85 -141.52 158.33 43.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.82 148.61 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -117.21 90.45 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.88 -39.19 38.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -171.38 -53.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 5.1 mttt -148.99 21.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.0 t -126.25 119.52 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.603 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.7 tm? -82.43 93.8 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -84.99 137.35 33.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 48' ' ' LEU . 1.9 m -91.76 158.66 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 56.4 m-85 -156.95 -174.21 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.803 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -129.22 -46.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.077 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.31 164.68 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -76.62 144.55 39.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.803 HD11 ' HB2' ' A' ' 40' ' ' ALA . 20.1 mt -72.01 -45.37 61.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -143.37 168.83 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.22 123.29 15.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.411 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 60.5 tp60 -144.58 117.38 5.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.1 Cg_endo -74.99 156.77 43.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -100.21 30.31 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 105.19 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.71 -26.42 20.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.469 ' CZ ' ' CD2' ' A' ' 75' ' ' HIS . 39.7 m-85 -58.36 -179.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.465 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.4 m -155.44 170.46 21.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.544 HG21 ' CG ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -142.4 155.15 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -164.79 155.13 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.867 HD23 HD11 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -82.23 146.12 29.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.775 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.8 p . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.482 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.36 -35.65 5.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.426 HG13 HG13 ' A' ' 61' ' ' VAL . 7.4 p -113.15 140.34 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CE2' ' CB ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -133.9 178.36 7.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HG2' HG22 ' A' ' 82' ' ' VAL . 28.4 mt-30 -131.45 152.39 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.604 HD23 ' HD2' ' A' ' 80' ' ' PHE . 61.6 tp -103.91 96.98 7.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -78.25 147.9 34.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.469 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 13.0 t-80 -137.16 95.23 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.591 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 81.13 2.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.456 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 124.56 -25.8 5.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.8 mtt -92.31 138.56 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.05 138.08 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.604 ' HD2' HD23 ' A' ' 73' ' ' LEU . 17.7 t80 -104.42 -41.4 5.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.408 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 4.5 m-85 -160.36 172.56 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.533 HG22 ' HG2' ' A' ' 72' ' ' GLN . 34.3 t -119.19 121.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.591 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 54.7 m-85 -110.5 122.33 47.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -113.53 135.98 53.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.42 153.76 23.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.61 -44.61 90.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.47 171.88 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.15 -52.11 4.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -48.35 -39.83 23.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.8 m -61.66 -38.63 88.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.539 HG23 ' CD1' ' A' ' 71' ' ' PHE . 21.0 m -52.1 -57.48 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' THR . 17.1 mm-40 -38.66 -52.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -62.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.882 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.9 m95 -43.46 -51.15 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.867 HD11 HD23 ' A' ' 60' ' ' LEU . 43.8 mt -50.22 -70.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.89 -41.61 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -55.84 -45.74 78.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 102' ' ' THR . 21.8 m-85 -73.63 -44.91 55.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.715 ' O ' HG22 ' A' ' 103' ' ' VAL . 24.3 mm-40 -61.5 -56.62 18.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 17.9 mt-10 -52.05 -32.27 33.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' A' ' 34' ' ' LYS . . . -65.0 -63.62 4.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 98' ' ' PHE . 55.1 p -51.32 -40.25 58.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' ' 99' ' ' GLN . 20.7 m . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.486 0.184 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -147.0 -74.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.494 ' O ' ' CE3' ' A' ' 28' ' ' TRP . . . 34.28 -147.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD2' ' CE3' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -124.18 150.29 45.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.721 HD11 ' CD2' ' A' ' 94' ' ' TRP . 94.6 mt -145.14 171.91 13.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.752 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 23.9 m-85 -122.75 116.16 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.21 135.17 33.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.5 158.66 43.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.82 14.15 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.99 -168.19 26.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.38 169.23 17.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.82 21.06 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -110.87 156.08 41.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -78.89 133.74 36.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 108.005 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -107.61 103.87 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.752 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 35.7 m170 -62.65 100.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 25' ' ' LYS . 1.1 mt -126.75 161.96 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.494 ' CE3' ' O ' ' A' ' 12' ' ' GLY . 60.0 t-105 -102.32 141.66 34.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD1' HD11 ' A' ' 36' ' ' LEU . 94.2 m-85 -136.89 147.51 46.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.2 t -137.44 154.38 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.0 mt -120.49 104.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 7.7 ttpp -135.4 144.35 46.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.2 t30 51.93 28.59 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 tptt 63.65 36.06 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.654 HG13 ' C ' ' A' ' 51' ' ' GLN . 85.6 t -128.9 135.49 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.61 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.7 tm? -88.28 93.06 9.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 42.7 m-85 -79.31 145.49 33.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.418 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 35.4 m -99.51 152.29 20.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.437 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.729 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 71.5 m-85 -157.04 178.66 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.779 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -120.45 -42.6 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -159.14 147.21 17.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.729 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -70.68 142.66 51.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 40' ' ' ALA . 67.9 mt -67.66 -38.96 84.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -149.45 165.61 31.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.96 132.94 31.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.654 ' C ' HG13 ' A' ' 35' ' ' VAL . 19.2 mm100 -148.46 127.99 6.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.493 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.95 128.34 11.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 36' ' ' LEU . 14.2 mt -67.32 -32.98 74.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.53 102.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.42 30.71 2.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 75' ' ' HIS . 26.6 m-85 -139.74 -171.91 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' LEU . 6.9 m -155.98 171.66 19.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -146.48 159.62 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.413 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.4 t -168.21 162.22 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -85.12 140.77 30.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.778 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.513 ' HA ' HD11 ' A' ' 60' ' ' LEU . 4.2 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.645 ' HG2' ' HB2' ' A' ' 88' ' ' ALA . 15.6 mttm -112.2 11.37 20.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.4 p -156.61 154.44 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.546 ' HA ' HG12 ' A' ' 61' ' ' VAL . 1.3 p90 -146.21 177.03 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.743 ' HG2' HG22 ' A' ' 82' ' ' VAL . 20.6 mt-30 -127.01 154.86 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.474 HD22 ' HE2' ' A' ' 83' ' ' PHE . 18.3 tp -103.54 96.04 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -78.98 147.62 32.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 28.7 t-80 -136.21 95.65 3.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.423 ' HD2' ' CE1' ' A' ' 75' ' ' HIS . 4.6 mtpt 80.77 2.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.434 ' O ' HD23 ' A' ' 74' ' ' LEU . . . 124.14 -23.9 6.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.77 141.34 28.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.409 HG11 ' OE1' ' A' ' 72' ' ' GLN . 55.0 t -68.81 138.47 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.455 ' HD2' HD23 ' A' ' 73' ' ' LEU . 33.7 t80 -108.29 -38.22 5.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.462 ' CE2' ' NH1' ' A' ' 16' ' ' ARG . 3.7 m-85 -166.34 167.33 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.743 HG22 ' HG2' ' A' ' 72' ' ' GLN . 83.9 t -113.21 111.48 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 29.0 m-85 -104.46 124.84 49.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -112.6 134.77 53.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.69 150.15 21.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.26 -63.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.82 -178.28 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.645 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . . . -80.42 -48.63 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -48.91 -38.37 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 m -62.51 -48.18 80.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -39.25 -65.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -44.14 -53.36 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -50.57 -60.72 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.721 ' CD2' HD11 ' A' ' 14' ' ' LEU . 69.1 m95 -50.26 -54.31 22.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.486 HG23 ' CG1' ' A' ' 58' ' ' VAL . 18.9 mt -45.43 -64.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -53.61 -44.5 69.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -52.57 -48.24 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.774 ' O ' HG23 ' A' ' 102' ' ' THR . 15.8 m-85 -70.2 -41.01 74.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 103' ' ' VAL . 7.3 mm-40 -58.5 -58.37 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 11.5 mt-10 -59.32 -34.28 72.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.15 -59.67 9.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 98' ' ' PHE . 61.0 p -53.16 -42.56 66.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.0 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.401 ' HG2' ' CE3' ' A' ' 94' ' ' TRP . 5.8 tpt . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.504 0.192 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 p -158.98 143.81 15.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.056 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.41 155.94 7.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -68.81 134.36 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.801 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.743 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 21.8 mt -134.39 168.29 19.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.726 ' CE1' ' CG ' ' A' ' 26' ' ' HIS . 26.5 m-85 -112.76 116.42 30.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -97.39 128.38 44.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -124.93 173.53 8.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.42 29.6 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.25 -154.51 25.56 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.77 -53.24 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -80.65 3.26 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -82.45 156.08 68.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 150.29 37.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.9 m95 -87.32 152.85 21.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 110.2 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.726 ' CG ' ' CE1' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -66.25 118.34 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.594 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -143.14 163.86 31.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -110.53 139.99 45.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 107.989 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.517 ' CD1' HD11 ' A' ' 36' ' ' LEU . 81.1 m-85 -139.79 157.54 45.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -144.86 152.76 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -109.77 101.5 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -130.86 132.42 45.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.4 t30 58.51 24.43 11.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 68.58 33.89 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -126.41 132.34 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.1 tm? -87.05 91.12 8.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -79.65 146.54 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 7.4 m -95.87 160.39 14.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.34 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.483 ' CG ' ' O ' ' A' ' 38' ' ' THR . 84.6 m-85 -162.61 171.31 17.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.935 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -117.17 -39.52 3.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -170.4 167.28 8.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -71.2 145.25 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.935 HD11 ' HB2' ' A' ' 40' ' ' ALA . 70.8 mt -77.23 -36.92 54.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -151.08 177.67 9.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.253 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.54 140.63 33.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -155.14 113.56 2.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 145.66 31.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mt -94.98 32.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -81.29 110.35 16.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' HD22 ' A' ' 54' ' ' LEU . . . 93.67 -29.63 8.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 31.9 m-85 -52.5 179.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -152.7 170.58 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.648 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -142.76 150.42 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.1 t -157.55 149.79 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.915 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.3 tm? -79.5 143.55 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.915 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.706 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.603 ' HD3' ' HB2' ' A' ' 88' ' ' ALA . 2.1 mttp -123.67 21.94 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' HD22 ' A' ' 60' ' ' LEU . 3.0 p -149.91 136.83 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.3 p90 -131.62 177.2 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' HG3' HG11 ' A' ' 61' ' ' VAL . 31.6 mt-30 -133.27 145.43 50.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.46 HD23 ' HD2' ' A' ' 80' ' ' PHE . 28.8 tp -93.61 97.75 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER -80.58 145.86 31.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER -137.13 119.19 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.63 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 0.4 OUTLIER 59.79 13.2 3.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 110.92 -29.1 9.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.483 ' HG2' ' CG ' ' A' ' 76' ' ' LYS . 5.7 ptp -89.18 140.59 29.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.0 141.39 17.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.46 ' HD2' HD23 ' A' ' 73' ' ' LEU . 15.1 t80 -108.84 -38.77 5.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -165.82 -179.47 5.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 t -125.65 116.13 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.46 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 55.3 m-85 -108.95 138.97 44.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.11 149.27 39.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.721 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -111.18 157.84 19.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.84 -64.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -115.01 -179.82 3.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.603 ' HB2' ' HD3' ' A' ' 69' ' ' LYS . . . -61.76 -47.61 84.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -51.84 -58.93 5.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.555 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.502 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 69.1 m -40.3 -57.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.721 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 1.2 m -45.06 -60.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -49.09 -52.88 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -55.5 -50.48 69.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.743 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 72.8 m95 -57.84 -47.82 81.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 107.964 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.73 HD11 HD23 ' A' ' 60' ' ' LEU . 61.3 mt -52.45 -71.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -50.75 -36.0 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -62.73 -36.61 83.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.648 ' CB ' HG21 ' A' ' 58' ' ' VAL . 9.8 m-85 -84.44 -34.16 23.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.565 ' O ' HG22 ' A' ' 103' ' ' VAL . 11.5 mm-40 -67.81 -41.17 83.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.531 ' HA ' HG22 ' A' ' 103' ' ' VAL . 3.0 mt-10 -67.52 -27.37 66.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.25 -52.15 38.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.8 p -61.83 -44.36 97.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 99' ' ' GLN . 16.3 m . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.461 0.172 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.9 p -157.02 113.94 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -171.27 160.55 32.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.424 ' O ' HD23 ' A' ' 14' ' ' LEU . 19.4 m-85 -76.96 134.62 38.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 8.5 mt -136.95 161.11 36.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.807 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 24.0 m-85 -108.83 123.13 48.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.52 139.3 32.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -141.62 161.87 36.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 39.52 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.99 -179.09 18.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' LYS . 2.0 m -65.8 -77.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -70.12 57.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' SER . 4.2 mmtt -130.03 156.03 79.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 136.79 21.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.7 m95 -81.27 153.97 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -131.57 109.01 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.807 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 36.5 m170 -63.08 110.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -134.36 164.25 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 43.1 t-105 -119.75 127.7 53.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD1' HD11 ' A' ' 36' ' ' LEU . 88.2 m-85 -122.91 159.97 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 29' ' ' PHE . 3.9 t -151.11 133.7 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.3 mt -95.82 93.94 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -86.69 -98.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.0 t-20 -93.09 63.93 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 56.37 21.8 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 33' ' ' ASN . 92.1 t -115.0 130.56 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 29' ' ' PHE . 3.3 tm? -85.76 93.6 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 23.6 m-85 -81.67 150.05 28.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.544 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 16.5 m -111.18 156.57 21.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 70.7 m-85 -152.71 178.4 9.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 1.027 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -116.84 -9.59 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 40' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -152.91 -174.97 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 38' ' ' THR . . . -86.22 141.89 28.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.027 HD11 ' HB2' ' A' ' 40' ' ' ALA . 96.8 mt -68.23 -41.3 81.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -141.27 163.33 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.501 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -142.23 130.26 21.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.412 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 51.5 tp60 -147.39 124.29 5.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.412 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.3 Cg_endo -75.01 121.94 6.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.09 -25.06 63.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.23 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.53 35.05 1.34 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 75' ' ' HIS . 26.4 m-85 -139.84 -173.53 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.5 m -154.1 170.83 20.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.614 HG23 HD12 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -147.12 152.42 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.465 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -155.5 148.62 24.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.482 HD23 HD11 ' A' ' 95' ' ' ILE . 3.1 tm? -78.64 139.57 38.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' A' ' 71' ' ' PHE . 3.8 p . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 2.8 mttt -112.61 23.59 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.606 HG13 HG13 ' A' ' 61' ' ' VAL . 2.9 p -154.07 156.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.617 ' HA ' HG12 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -148.77 175.33 11.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 110.96 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.482 ' HG2' HG22 ' A' ' 82' ' ' VAL . 30.9 mt-30 -130.09 147.54 51.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.614 HD12 HG23 ' A' ' 58' ' ' VAL . 20.2 tp -97.65 100.03 11.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -83.61 150.78 25.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 76' ' ' LYS . 8.0 t-80 -137.24 94.86 2.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 83.69 -2.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 130.2 -26.21 4.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.7 mtm -90.5 148.0 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.5 t -74.85 128.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.512 ' HD2' HD23 ' A' ' 73' ' ' LEU . 42.3 t80 -99.43 -38.94 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.417 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 5.5 m-85 -166.9 157.75 12.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.482 HG22 ' HG2' ' A' ' 72' ' ' GLN . 44.6 t -98.33 157.53 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 54.3 m-85 -152.49 127.96 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -111.18 147.33 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 90' ' ' SER . . . -116.72 155.34 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -45.92 -66.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.16 174.45 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -62.61 -46.05 90.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.411 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 1.2 m-70 -50.26 -47.73 55.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.551 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -53.91 -49.41 68.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.716 HG22 ' CD1' ' A' ' 95' ' ' ILE . 97.8 m -47.52 -61.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -39.2 -52.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.411 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -57.06 -55.46 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.61 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 75.9 m95 -54.53 -49.69 69.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.716 ' CD1' HG22 ' A' ' 91' ' ' THR . 97.3 mt -51.57 -69.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -50.35 -35.71 29.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.5 83.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.669 ' O ' HG23 ' A' ' 102' ' ' THR . 15.8 m-85 -83.72 -30.63 26.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.47 ' O ' HG22 ' A' ' 103' ' ' VAL . 21.9 mm-40 -69.24 -49.74 53.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.583 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -68.66 -28.75 67.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.22 -62.49 5.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 98' ' ' PHE . 49.3 p -53.13 -45.48 68.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.773 . . . . 0.0 110.412 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.583 HG22 ' HA ' ' A' ' 100' ' ' GLU . 5.0 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.554 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.494 0.188 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -177.23 162.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.497 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 130.64 159.61 9.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -69.92 124.7 24.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.877 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 3.8 mt -126.96 143.69 51.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -83.37 112.39 19.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 82' ' ' VAL . 52.3 ttp180 -100.1 108.52 20.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -99.51 -177.42 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.041 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 3.2 mttt -129.04 20.49 5.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.82 -136.16 4.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.138 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.08 -65.91 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.756 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -1.09 23.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 18' ' ' LYS . 12.7 mmtt -69.95 156.63 91.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.442 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -75.01 142.4 27.76 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.787 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 81.7 m95 -87.57 142.37 27.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 23' ' ' PRO . 3.9 mtmt -123.82 101.64 7.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -71.28 98.74 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.73 170.64 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.497 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.1 t-105 -103.94 134.42 47.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 107.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 36' ' ' LEU . 98.4 m-85 -134.6 149.15 50.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -143.38 123.07 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 10' ' ' MET . 92.2 mt -84.91 98.07 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -120.13 133.34 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 60.63 19.8 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 mptt 77.79 14.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.588 HG13 ' C ' ' A' ' 51' ' ' GLN . 83.1 t -108.93 132.63 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.0 tm? -82.99 93.33 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' A' ' 32' ' ' LYS . 54.3 m-85 -80.32 147.52 31.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 m -103.07 155.28 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 67.3 m-85 -155.43 179.17 9.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.891 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -120.99 -40.78 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.55 149.34 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -69.11 134.62 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.891 HD11 ' HB2' ' A' ' 40' ' ' ALA . 74.9 mt -62.08 -41.15 97.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -148.73 166.87 27.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.18 124.94 15.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.588 ' C ' HG13 ' A' ' 35' ' ' VAL . 18.3 mm100 -143.65 127.14 9.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.494 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 157.47 42.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 102' ' ' THR . 14.7 mt -100.46 25.23 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 tt -84.91 123.23 30.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.74 -16.88 43.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.494 ' CE2' ' O ' ' A' ' 52' ' ' PRO . 53.0 m-85 -74.35 177.02 6.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -149.02 167.58 25.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.715 ' CG1' HG23 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -144.74 152.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 t -160.67 147.95 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.4 tm? -80.91 142.76 33.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.908 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.0 p . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.642 ' HA ' HD11 ' A' ' 60' ' ' LEU . 17.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.525 ' HE2' ' HB2' ' A' ' 88' ' ' ALA . 16.4 mttt -132.39 12.69 4.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.23 147.1 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.565 ' HA ' HG12 ' A' ' 61' ' ' VAL . 2.4 p90 -138.07 177.87 7.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.592 ' HG2' HG22 ' A' ' 82' ' ' VAL . 29.1 mt-30 -129.78 145.74 51.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.647 HD23 ' HD2' ' A' ' 80' ' ' PHE . 48.1 tp -95.86 99.09 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -84.22 148.04 26.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 20.7 t-80 -137.23 95.12 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.572 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 87.94 -33.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.428 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 163.22 -27.26 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.31 141.94 28.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.78 129.17 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.647 ' HD2' HD23 ' A' ' 73' ' ' LEU . 19.2 t80 -93.07 -41.78 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 11.5 m-85 -166.43 157.95 13.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.592 HG22 ' HG2' ' A' ' 72' ' ' GLN . 88.5 t -99.91 132.58 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 69.2 m-85 -126.07 131.87 52.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -117.08 138.64 51.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.752 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -105.77 150.91 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -74.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -94.78 178.48 5.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.525 ' HB2' ' HE2' ' A' ' 69' ' ' LYS . . . -72.36 -61.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.451 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 8.3 m170 -39.52 -43.29 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -56.55 19.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.752 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 1.3 m -42.43 -52.86 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.354 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -56.92 -58.15 9.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.451 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -46.44 -47.07 19.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.237 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.877 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 74.9 m95 -60.67 -53.76 53.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 108.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.715 HG23 ' CG1' ' A' ' 58' ' ' VAL . 8.8 mt -51.36 -58.3 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -55.01 -40.67 70.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.14 -34.19 77.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 102' ' ' THR . 13.5 m-85 -81.49 -30.01 33.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -73.16 -39.76 65.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.526 ' HA ' HG22 ' A' ' 103' ' ' VAL . 1.2 pt-20 -78.02 -13.17 59.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.11 -44.82 43.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.442 1.088 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 53' ' ' LEU . 22.7 p -65.7 -24.43 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.368 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 100' ' ' GLU . 28.7 m . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.1 tpt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.497 0.189 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -169.56 136.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.545 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 165.74 150.46 6.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 63.8 m-85 -65.1 129.03 38.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 94' ' ' TRP . 76.4 mt -129.6 150.79 50.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -97.78 119.0 35.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -91.27 136.85 32.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -156.53 132.57 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -36.6 82.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.52 -163.09 10.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -85.87 -37.93 18.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 0.0 110.015 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -85.82 39.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -129.87 155.51 80.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.74 8.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 97.9 m95 -66.86 135.87 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 121.11 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.534 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 51.3 t-80 -71.71 120.42 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.616 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -142.64 168.9 18.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.545 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 70.2 t-105 -120.59 137.61 54.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 107.985 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.62 ' HB3' HD21 ' A' ' 36' ' ' LEU . 97.5 m-85 -135.48 158.21 44.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -150.48 157.5 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -118.63 89.03 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 3.3 tttp -71.27 -84.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.672 ' O ' HG23 ' A' ' 35' ' ' VAL . 36.2 t-20 -115.51 71.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttp 59.49 17.45 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 33' ' ' ASN . 95.8 t -115.09 125.4 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 29' ' ' PHE . 2.7 tm? -81.39 91.55 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 13.5 m-85 -79.91 132.29 36.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.55 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 3.4 m -90.18 160.64 16.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.719 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 65.0 m-85 -157.99 172.61 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 1.013 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -114.77 -11.06 12.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 40' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.82 -175.28 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.03 135.43 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.013 HD11 ' HB2' ' A' ' 40' ' ' ALA . 81.3 mt -61.45 -47.69 84.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -135.07 158.92 43.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.556 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -140.06 132.8 29.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.562 ' C ' HG13 ' A' ' 35' ' ' VAL . 39.3 tp60 -152.71 133.4 7.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.2 Cg_endo -75.06 129.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.27 -21.09 66.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.547 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -54.42 113.4 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.532 ' N ' HD13 ' A' ' 54' ' ' LEU . . . 112.78 -34.07 5.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -75.24 -178.26 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.479 ' O ' HD12 ' A' ' 73' ' ' LEU . 3.5 m -152.63 168.86 24.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.518 HG21 ' CG ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.25 152.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -161.26 129.85 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.647 HD23 HD11 ' A' ' 95' ' ' ILE . 3.5 tm? -63.14 141.72 58.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.616 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.1 p . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.58 ' HA ' HD21 ' A' ' 60' ' ' LEU . 13.5 m . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' O ' ' CG2' ' A' ' 91' ' ' THR . 9.9 tttt -121.69 -41.75 2.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -103.53 145.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -131.24 177.82 7.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.562 ' HG2' HG22 ' A' ' 82' ' ' VAL . 26.0 mt-30 -125.91 148.24 49.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 57' ' ' THR . 43.4 tp -99.67 98.22 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -82.72 146.68 28.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 29.6 t-80 -136.51 98.76 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 14.9 mtmt 82.25 -1.97 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.451 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 127.47 -23.66 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 25.3 mtt -95.49 142.31 27.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.75 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.09 128.75 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 62.0 t80 -101.67 -33.12 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.624 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 4.5 m-85 -167.3 169.62 12.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.562 HG22 ' HG2' ' A' ' 72' ' ' GLN . 21.5 t -118.46 144.93 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.429 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 61.1 m-85 -136.48 127.06 26.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 85' ' ' ALA . 3.8 tttt -109.82 141.49 42.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . -111.25 143.05 42.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.34 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -94.51 174.69 6.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.78 -47.07 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -46.92 -50.53 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.607 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -51.8 28.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.958 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.457 HG22 HD11 ' A' ' 95' ' ' ILE . 24.2 m -40.76 -68.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 91' ' ' THR . 22.6 mm-40 -38.52 -58.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -53.18 36.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 63.8 m95 -55.02 -53.31 57.4 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.647 HD11 HD23 ' A' ' 60' ' ' LEU . 94.9 mt -46.91 -63.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.8 -42.03 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -54.15 -49.78 68.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.518 ' CG ' HG21 ' A' ' 58' ' ' VAL . 7.1 m-85 -68.78 -49.64 56.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.698 ' O ' HG22 ' A' ' 103' ' ' VAL . 18.1 mm-40 -53.97 -56.78 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.437 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 3.5 mt-10 -56.26 -36.64 68.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.0 -55.93 25.31 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.4 p -57.43 -42.31 82.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 99' ' ' GLN . 21.4 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.543 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 CA-C-O 120.503 0.192 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.9 p -179.57 126.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.539 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 167.69 178.47 39.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.438 ' O ' HD23 ' A' ' 14' ' ' LEU . 42.9 m-85 -88.63 138.32 31.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.532 HD11 ' CD2' ' A' ' 94' ' ' TRP . 78.5 mt -136.64 151.47 49.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.742 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 30.0 m-85 -94.54 112.79 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.46 120.31 32.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 2.2 m -127.09 155.76 42.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -98.76 15.29 25.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.6 -152.37 23.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.155 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -96.22 -55.73 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -81.79 47.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -130.46 155.71 80.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.63 10.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 95.4 m95 -70.84 154.71 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.98 112.79 11.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.742 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 0.8 OUTLIER -75.47 113.64 13.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.633 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.52 166.89 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.539 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 70.0 t-105 -104.58 140.31 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 107.984 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -137.92 151.89 48.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.4 t -147.53 125.19 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -93.91 110.01 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.52 137.74 44.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 57.54 24.64 10.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.95 25.22 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 85.9 t -117.78 133.57 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.0 tm? -90.0 93.4 9.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -79.22 151.48 31.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.577 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 53.4 m -106.67 159.33 16.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.661 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 67.3 m-85 -160.97 169.24 22.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 1.05 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -111.01 -28.57 8.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.1 176.39 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -82.69 145.82 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.05 HD11 ' HB2' ' A' ' 40' ' ' ALA . 96.0 mt -70.98 -33.01 70.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -151.75 167.39 28.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.95 123.78 15.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -145.99 126.52 7.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.99 153.5 41.87 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 36' ' ' LEU . 12.2 mt -96.41 38.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -94.61 117.93 30.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.01 -11.66 70.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 75' ' ' HIS . 39.5 m-85 -81.63 178.1 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 110.973 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -153.94 169.14 24.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.536 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -144.83 151.19 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 74' ' ' LEU . 5.8 t -162.24 140.36 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD13 ' N ' ' A' ' 61' ' ' VAL . 2.8 tm? -72.57 141.02 48.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.5 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.487 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -164.29 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -107.07 129.85 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 3.1 p90 -119.44 178.02 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.843 ' HG2' HG22 ' A' ' 82' ' ' VAL . 15.4 mt-30 -125.35 145.6 49.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.457 HD22 ' HE2' ' A' ' 83' ' ' PHE . 62.6 tp -97.04 98.47 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -81.31 146.21 30.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . 18.3 t-80 -136.81 96.96 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER 81.29 6.67 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.51 -17.56 13.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.8 mtt -100.09 137.14 38.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.471 HG11 ' OE1' ' A' ' 72' ' ' GLN . 55.0 t -64.87 125.07 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 67.6 t80 -94.87 -37.69 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 3.9 m-85 -164.94 167.78 18.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.843 HG22 ' HG2' ' A' ' 72' ' ' GLN . 59.4 t -115.39 127.83 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.457 ' HE2' HD22 ' A' ' 73' ' ' LEU . 59.7 m-85 -120.06 130.52 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -115.25 132.58 56.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.27 157.86 15.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -58.8 -54.6 45.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.45 -172.29 2.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.37 -49.04 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -49.37 -32.97 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.9 m -69.45 -48.38 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.827 HG22 ' CD1' ' A' ' 95' ' ' ILE . 96.4 m -40.32 -63.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' THR . 30.6 mm-40 -38.85 -48.23 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -58.24 -64.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.543 ' CD2' ' SD ' ' A' ' 10' ' ' MET . 69.1 m95 -47.76 -49.71 27.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 108.051 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.827 ' CD1' HG22 ' A' ' 91' ' ' THR . 96.9 mt -49.44 -66.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.54 -40.9 63.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -56.3 -39.06 72.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CB ' HG21 ' A' ' 58' ' ' VAL . 8.7 m-85 -81.09 -32.24 34.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.502 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.4 mm-40 -71.81 -57.62 4.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.469 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -56.08 -22.8 29.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.98 -53.39 10.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 98' ' ' PHE . 43.5 p -61.7 -41.64 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.502 HG22 ' O ' ' A' ' 99' ' ' GLN . 19.6 m . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 tpt . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.52 0.2 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.4 p -160.35 170.02 21.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.571 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 138.08 176.75 14.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.85 140.31 29.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.891 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 9.2 mt -140.48 168.95 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 18.4 m-85 -118.57 123.54 45.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.476 ' H ' HD21 ' A' ' 27' ' ' LEU . 8.4 ttp180 -101.19 145.93 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.72 166.62 32.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.051 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -31.44 13.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.81 162.05 26.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 4.6 m -47.92 164.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 0.737 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 20' ' ' SER . 15.4 mmtt 80.2 -44.54 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 20' ' ' SER . 4.5 mttp -69.7 156.42 91.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.25 22.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CH2' HG12 ' A' ' 82' ' ' VAL . 92.6 m95 -71.43 137.99 48.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 107.998 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.838 ' HB3' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -93.04 147.5 22.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.544 ' C ' HD13 ' A' ' 27' ' ' LEU . 1.3 t-80 -104.1 114.8 29.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.924 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -154.09 173.07 16.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 3.6 t-105 -128.62 152.13 48.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.742 ' HE1' HD23 ' A' ' 27' ' ' LEU . 57.5 m-85 -141.71 170.14 16.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 29' ' ' PHE . 29.0 t -154.33 157.13 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.6 mt -118.14 89.04 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 8.6 ttpt -80.52 -90.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.794 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.5 t-20 -105.7 71.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 52.06 22.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 33' ' ' ASN . 78.8 t -116.07 127.74 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.61 HD11 ' CD2' ' A' ' 29' ' ' PHE . 2.3 tm? -84.35 93.89 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 40.0 m-85 -86.62 134.78 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 m -85.15 155.63 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' TRP . 65.8 m-85 -157.23 174.47 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.744 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -117.38 -38.21 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.72 157.39 26.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -76.48 144.03 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.744 HD11 ' HB2' ' A' ' 40' ' ' ALA . 37.0 mt -74.23 -39.55 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -149.61 169.59 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -140.73 121.56 14.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -141.07 122.86 9.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.0 154.37 42.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 36' ' ' LEU . 2.4 mt -98.09 34.37 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.74 110.3 18.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.17 -37.05 3.63 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.404 ' C ' ' OG1' ' A' ' 57' ' ' THR . 45.2 m-85 -50.94 178.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 0.745 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.7 m -154.89 169.32 24.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.54 153.02 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -158.52 130.52 6.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 70' ' ' VAL . 2.7 tm? -68.36 141.07 55.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.641 ' H ' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 1.9 ttpm? -134.36 10.6 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.656 ' O ' HD22 ' A' ' 60' ' ' LEU . 3.1 p -139.42 152.81 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 83' ' ' PHE . 1.1 p90 -140.74 169.55 17.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -123.23 147.51 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.532 HD23 ' HD2' ' A' ' 80' ' ' PHE . 62.1 tp -97.81 100.65 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER -83.46 149.38 26.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 30.7 t-80 -137.18 94.66 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 86.96 -19.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.444 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 147.16 -21.92 1.57 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.82 143.69 26.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.8 t -67.07 137.62 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.532 ' HD2' HD23 ' A' ' 73' ' ' LEU . 28.6 t80 -104.94 -42.79 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -161.29 160.56 29.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.425 HG12 ' CH2' ' A' ' 24' ' ' TRP . 19.1 t -104.0 113.79 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.37 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 38.0 m-85 -104.32 126.83 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 85' ' ' ALA . 2.3 ttmt -118.23 139.56 51.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . -104.38 157.01 17.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.5 -63.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -104.02 158.58 16.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.93 41.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -41.54 -51.77 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.8 m -48.89 -52.0 26.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.585 HG22 HD11 ' A' ' 95' ' ' ILE . 23.8 m -39.03 -69.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -41.53 -58.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -44.53 -59.94 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.891 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 73.5 m95 -51.56 -58.03 7.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 91' ' ' THR . 22.0 mt -41.47 -67.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.15 -42.75 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -54.73 -43.44 72.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.452 ' CB ' HG21 ' A' ' 58' ' ' VAL . 5.9 m-85 -75.94 -34.26 59.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.704 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.0 mm-40 -67.03 -58.5 4.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.415 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 17.8 mt-10 -52.81 -23.94 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.99 -51.24 7.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.8 p -62.65 -31.29 72.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.371 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 99' ' ' GLN . 34.1 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 tpt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.538 0.209 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -171.11 165.76 7.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.477 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 138.16 147.89 5.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 21.2 m-85 -63.77 139.44 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.084 HD11 ' CE2' ' A' ' 94' ' ' TRP . 39.7 mt -141.4 -176.68 4.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -131.39 118.85 20.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 4.0 ttm180 -92.52 118.41 30.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 82' ' ' VAL . 3.1 m -124.9 129.23 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.953 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -8.88 55.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.7 -148.39 5.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.22 -53.35 2.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 0.742 . . . . 0.0 109.946 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -72.57 -5.37 36.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -80.19 156.15 74.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.52 12.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 96.3 m95 -69.13 157.97 35.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -133.25 120.03 20.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.516 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 16.3 t-80 -72.0 117.47 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.579 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -144.5 170.33 16.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.1 t-105 -118.36 141.01 48.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 36' ' ' LEU . 92.5 m-85 -136.62 158.42 44.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 31' ' ' ILE . 37.1 t -152.26 161.84 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.439 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 44.9 mt -124.87 91.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 1.5 ttpt -80.62 -89.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 1.01 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.9 t30 -102.18 78.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 mttt 42.73 31.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 33' ' ' ASN . 88.4 t -130.19 127.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.532 HD11 ' CD1' ' A' ' 29' ' ' PHE . 3.4 tm? -82.05 96.71 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 25.4 m-85 -85.28 127.19 34.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.532 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 2.4 m -83.66 157.46 22.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -154.37 -172.76 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.787 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -129.08 -44.93 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -156.67 -179.76 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 38' ' ' THR . . . -94.78 145.34 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 40' ' ' ALA . 32.8 mt -70.94 -41.42 71.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -146.21 165.71 28.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.453 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -141.68 134.19 28.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.494 ' C ' HG13 ' A' ' 35' ' ' VAL . 38.6 tp60 -155.12 132.86 6.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.05 156.09 42.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 36' ' ' LEU . 9.2 mt -100.28 16.96 22.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' C ' HD23 ' A' ' 54' ' ' LEU . 6.8 tt -76.7 124.04 27.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 89.43 -30.68 5.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -63.73 176.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -150.13 171.07 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.475 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.23 153.47 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.403 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -160.87 140.51 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.946 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.5 tm? -72.84 140.49 47.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.946 ' N ' HD13 ' A' ' 60' ' ' LEU . 7.3 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.642 ' HA ' HD21 ' A' ' 60' ' ' LEU . 6.4 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -112.29 -14.06 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 83' ' ' PHE . 1.4 p -142.75 146.01 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.702 ' CD1' HG23 ' A' ' 91' ' ' THR . 2.4 p90 -136.63 178.1 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.3 153.31 47.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.504 HD23 ' HD2' ' A' ' 80' ' ' PHE . 58.2 tp -102.46 101.73 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.423 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -84.17 148.84 26.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 14.6 t-80 -137.22 96.28 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER 82.01 0.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.423 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 125.19 -22.33 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.4 mtp -95.45 143.08 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.44 125.56 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.507 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 35.6 t80 -97.48 -34.86 10.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 8.8 m-85 -170.71 156.67 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 17' ' ' SER . 21.2 t -100.79 154.98 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 58.4 m-85 -150.7 126.4 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -112.89 148.55 34.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.722 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -118.31 145.29 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.79 -61.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.71 169.08 9.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.06 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -48.51 -35.21 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.574 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.5 m -67.69 -48.12 67.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.824 HG22 HD11 ' A' ' 95' ' ' ILE . 98.9 m -47.09 -58.98 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.493 ' HA ' HD12 ' A' ' 95' ' ' ILE . 32.0 mm-40 -39.77 -44.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.17 -66.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.084 ' CE2' HD11 ' A' ' 14' ' ' LEU . 35.7 m95 -46.53 -45.69 18.76 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.824 HD11 HG22 ' A' ' 91' ' ' THR . 93.5 mt -52.01 -71.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -47.13 -44.13 21.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.54 -37.24 70.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.475 ' CB ' HG21 ' A' ' 58' ' ' VAL . 11.7 m-85 -83.18 -30.16 28.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 103' ' ' VAL . 49.6 mt-30 -73.49 -57.8 3.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.43 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -50.98 -34.87 30.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.1 -59.22 8.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 98' ' ' PHE . 25.2 p -53.56 -42.4 67.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 99' ' ' GLN . 20.1 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 tpt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.496 0.189 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -151.38 145.85 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.04 135.66 2.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.775 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 13.3 m-85 -49.81 138.86 14.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.906 HD11 ' CE2' ' A' ' 94' ' ' TRP . 69.6 mt -139.85 160.31 40.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -107.32 112.86 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -92.73 138.52 31.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.46 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 16.3 t -148.81 167.26 26.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.042 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -112.24 29.97 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.63 176.85 22.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -74.48 -47.74 31.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 0.803 . . . . 0.0 110.039 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -83.08 45.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -130.81 155.77 80.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.54 15.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 97.1 m95 -77.3 156.92 31.01 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -137.96 113.72 9.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 36.1 t-80 -68.65 101.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.55 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -123.98 167.93 13.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -109.75 141.73 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.52 155.55 46.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.3 t -148.46 153.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.3 mt -115.59 115.97 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -143.16 138.46 29.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.0 t30 54.91 30.68 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mttt 65.25 23.51 12.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 33' ' ' ASN . 46.4 t -116.7 142.76 29.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.576 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.1 tm? -97.89 102.33 14.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -89.89 135.2 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 m -92.28 152.4 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 58.8 m-85 -152.58 -176.65 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.06 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.848 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -118.61 -40.14 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.978 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.11 175.04 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -87.45 140.4 29.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.848 HD11 ' HB2' ' A' ' 40' ' ' ALA . 76.7 mt -67.31 -41.36 85.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -148.83 167.85 24.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.03 132.79 30.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -146.44 119.19 5.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.97 149.92 37.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 mt -97.59 37.91 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.8 106.56 18.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.63 -19.93 52.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.412 ' C ' ' OG1' ' A' ' 57' ' ' THR . 32.9 m-85 -64.48 -177.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 73' ' ' LEU . 7.3 m -156.56 172.7 18.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -146.97 151.07 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.401 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.5 t -157.84 142.7 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.945 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.6 tm? -73.62 141.9 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.945 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.721 ' HA ' HD21 ' A' ' 60' ' ' LEU . 68.5 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.774 ' HE2' ' HB2' ' A' ' 88' ' ' ALA . 16.1 mttt -109.44 -19.36 13.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -127.39 144.64 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.633 ' HA ' HG12 ' A' ' 61' ' ' VAL . 1.4 p90 -135.84 177.72 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.585 ' HG3' HG11 ' A' ' 61' ' ' VAL . 31.3 mt-30 -129.65 155.16 46.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 57' ' ' THR . 56.7 tp -105.64 98.23 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -80.63 146.92 30.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 16.1 t-80 -137.09 95.73 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 82.37 3.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 122.44 -25.1 6.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 143.97 25.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.52 133.48 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.459 ' HD2' HD23 ' A' ' 73' ' ' LEU . 28.2 t80 -101.59 -37.78 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -163.9 165.09 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.8 t -114.96 117.08 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 55.8 m-85 -110.59 123.14 49.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -106.67 153.98 21.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 69' ' ' LYS . . . -126.18 156.21 40.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.92 -48.99 19.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -101.88 163.4 12.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.774 ' HB2' ' HE2' ' A' ' 69' ' ' LYS . . . -83.63 -58.0 2.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -42.16 -39.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.615 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.1 m -60.69 -48.11 83.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.413 HG22 HD11 ' A' ' 95' ' ' ILE . 16.0 m -43.64 -56.11 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -49.25 -40.4 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 5.0 mtt180 -63.91 -50.97 66.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.906 ' CE2' HD11 ' A' ' 14' ' ' LEU . 23.5 m95 -60.51 -44.58 95.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.011 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 60' ' ' LEU . 76.6 mt -56.8 -66.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.89 -32.95 55.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -68.25 -37.71 81.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.654 ' HB3' HG21 ' A' ' 58' ' ' VAL . 3.7 m-85 -82.21 -26.33 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -78.44 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.641 ' HA ' HG12 ' A' ' 103' ' ' VAL . 1.5 mt-10 -46.99 -28.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.82 -61.86 4.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 98' ' ' PHE . 38.3 p -57.16 -26.08 59.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 0.0 110.45 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.641 HG12 ' HA ' ' A' ' 100' ' ' GLU . 4.8 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.44 164.83 15.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 0.736 . . . . 0.0 109.979 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m 61.41 145.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.012 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.22 -136.64 0.66 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.7 p -157.21 100.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.38 87.67 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.77 -169.03 22.61 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 69.6 m -78.31 157.7 29.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.533 0.784 . . . . 0.0 110.047 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -39.87 -59.5 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.398 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.54 137.8 14.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.411 ' CB ' HG22 ' A' ' 30' ' ' VAL . 89.9 p -159.5 122.66 3.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.98 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.495 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 177.81 149.94 8.26 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.15 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.616 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 34.9 m-85 -60.66 135.7 57.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.657 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 2.1 mt -137.7 178.24 7.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -119.52 116.0 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -91.5 143.66 26.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.3 OUTLIER -152.81 157.74 41.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.63 19.67 15.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.73 -170.88 22.23 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.5 m -79.9 150.65 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 0.781 . . . . 0.0 110.016 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 78.29 -0.55 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -96.38 156.05 37.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 136.37 20.3 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 98.7 m95 -77.01 161.58 28.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.007 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -135.79 114.35 11.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.616 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 19.2 t-160 -79.76 108.85 13.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.57 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.5 mt -141.43 165.7 26.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.495 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.6 t-105 -102.19 141.15 35.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 108.014 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -133.08 156.39 47.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG22 ' CB ' ' A' ' 11' ' ' SER . 29.4 t -150.18 152.97 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 45.9 mt -114.24 110.9 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.493 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 14.5 ttpp -138.19 140.56 39.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.246 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 51.9 25.38 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 mttt 68.39 30.33 5.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG13 ' C ' ' A' ' 51' ' ' GLN . 96.2 t -122.36 137.47 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.767 ' HB2' HD21 ' A' ' 53' ' ' LEU . 3.0 tm? -92.09 97.92 11.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.521 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 48.9 m-85 -85.33 150.48 24.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.1 m -106.93 145.62 32.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 110.418 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.468 ' CD1' ' CG ' ' A' ' 44' ' ' ASP . 55.5 m-85 -145.12 -172.55 3.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.894 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -132.31 -46.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.42 148.29 51.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.8 t -55.81 -40.32 72.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.955 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.34 43.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.468 ' CG ' ' CD1' ' A' ' 39' ' ' TYR . 2.2 p30 -70.8 166.91 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.351 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.32 -20.77 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.13 147.32 7.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' HA ' ' CD1' ' A' ' 39' ' ' TYR . . . -69.05 140.1 54.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.894 HD11 ' HB2' ' A' ' 40' ' ' ALA . 48.3 mt -67.52 -40.34 85.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -150.29 166.6 29.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.316 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.521 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -142.03 128.17 19.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.959 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.478 ' C ' HG13 ' A' ' 35' ' ' VAL . 1.8 mm-40 -140.62 122.32 9.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 146.03 32.3 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.767 HD21 ' HB2' ' A' ' 36' ' ' LEU . 9.6 mt -92.75 36.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.23 103.97 16.19 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 102.29 -20.22 45.69 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -67.59 176.35 2.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 0.762 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -150.39 171.12 17.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.585 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.07 155.97 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -165.2 153.51 11.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.821 HD23 HD11 ' A' ' 95' ' ' ILE . 1.4 tm? -78.28 144.87 35.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.648 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.2 p -124.0 140.72 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -58.74 -53.11 62.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.424 ' OD2' HG11 ' A' ' 70' ' ' VAL . 6.8 t0 59.21 171.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -107.07 -39.86 5.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.321 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.64 -51.33 60.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.507 ' HB2' HG12 ' A' ' 70' ' ' VAL . 3.7 m -113.91 172.86 6.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -113.96 -30.69 6.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.659 ' HA ' HD11 ' A' ' 60' ' ' LEU . 2.0 t -161.85 35.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -120.33 6.12 10.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 83' ' ' PHE . 2.2 p -136.17 137.09 48.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' HD1' HG23 ' A' ' 91' ' ' THR . 1.7 p90 -125.29 177.98 5.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -130.3 143.49 50.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.113 . . . . 0.0 110.345 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.654 HD23 ' HD2' ' A' ' 80' ' ' PHE . 50.8 tp -95.46 101.66 13.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -84.14 147.97 27.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.455 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 34.3 t-80 -137.03 96.4 3.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 109.593 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 84.12 -6.65 1.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 132.93 -23.16 3.96 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.493 1.121 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.3 ptm -94.44 143.81 26.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.5 t -69.8 124.7 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.654 ' HD2' HD23 ' A' ' 73' ' ' LEU . 20.4 t80 -91.45 -41.04 11.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.501 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 18.4 m-85 -167.43 156.55 10.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.1 t -95.65 160.44 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.519 ' O ' HG23 ' A' ' 70' ' ' VAL . 58.3 m-85 -153.91 128.63 9.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -109.6 133.59 52.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.807 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -103.9 155.63 18.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -44.81 -78.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -113.88 -176.51 2.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.68 -46.08 83.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -50.16 -49.77 51.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.553 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.4 m -57.56 -57.33 13.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.029 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.807 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 60.2 m -39.26 -57.27 1.38 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.397 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -48.66 -46.78 40.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.402 ' O ' ' N ' ' A' ' 97' ' ' ALA . 5.2 mtm180 -56.58 -57.67 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.657 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 64.2 m95 -54.92 -45.84 74.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 108.003 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.821 HD11 HD23 ' A' ' 60' ' ' LEU . 32.4 mt -53.66 -70.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -51.96 -34.58 42.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 93' ' ' ARG . . . -63.19 -38.79 92.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.238 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.63 ' O ' HG23 ' A' ' 102' ' ' THR . 10.5 m-85 -82.56 -26.37 32.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.559 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.2 mm-40 -76.22 -46.31 28.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.25 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.487 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -73.52 -4.05 31.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.81 -44.16 6.16 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.528 1.142 . . . . 0.0 110.963 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 98' ' ' PHE . 12.6 p -72.95 -33.78 66.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.39 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 99' ' ' GLN . 24.6 m -89.56 -164.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.6 t -140.87 16.24 2.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 94.86 156.15 31.92 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.472 1.107 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 177.87 8.03 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.59 1.837 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 68.2 m -79.35 124.64 28.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.004 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.9 p -136.19 146.7 47.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.979 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -132.58 -58.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 50.6 89.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.62 -110.23 0.49 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.21 -82.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.971 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.46 81.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.034 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.28 -142.55 3.42 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.5 m -62.44 155.06 26.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 0.754 . . . . 0.0 110.017 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -51.08 -60.49 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 110.405 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.9 tpt -133.71 136.3 44.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.428 ' CB ' HG22 ' A' ' 30' ' ' VAL . 22.6 p -172.66 133.13 0.59 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 110.008 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 162.08 147.74 5.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.491 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 41.5 m-85 -58.97 131.12 50.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 0.81 . . . . 0.0 110.979 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.819 HD11 ' CE2' ' A' ' 94' ' ' TRP . 22.8 mt -133.22 148.5 52.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -95.65 107.42 19.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.559 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 1.2 ttm180 -90.88 126.29 36.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.562 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -129.04 177.24 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.975 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.67 35.78 4.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' OG ' ' A' ' 17' ' ' SER . . . 140.99 -162.7 26.73 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.11 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.3 m -91.27 -57.92 2.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 0.747 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.8 -7.11 36.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt -80.19 155.88 74.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 158.82 41.94 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.466 1.772 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.562 ' CE3' ' HB3' ' A' ' 17' ' ' SER . 96.1 m95 -98.09 157.93 15.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 108.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -134.08 120.64 20.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.491 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 50.0 t-80 -75.77 115.8 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.649 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.3 mt -145.85 169.89 17.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.262 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 33.7 t-105 -115.51 143.26 45.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.481 ' HB3' HD21 ' A' ' 36' ' ' LEU . 79.8 m-85 -139.25 160.71 39.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' ILE . 13.9 t -152.01 163.46 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.256 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.476 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 42.8 mt -125.71 89.27 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -76.26 -102.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.771 ' O ' HG23 ' A' ' 35' ' ' VAL . 18.3 t-20 -89.14 66.71 7.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mttt 56.33 19.49 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 33' ' ' ASN . 91.0 t -113.42 132.35 62.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD21 ' HB3' ' A' ' 29' ' ' PHE . 1.8 tm? -86.88 97.67 10.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 20.8 m-85 -87.02 135.67 33.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.569 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 7.2 m -90.78 140.86 29.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.398 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 46.1 m-85 -140.43 -171.49 3.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.751 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -135.18 -46.29 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 109.273 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -109.35 160.48 16.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.401 ' HA ' ' CD2' ' A' ' 28' ' ' TRP . 77.3 p -54.33 -46.84 72.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.981 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -120.95 59.05 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -64.6 143.78 57.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.9 m -59.29 -32.12 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.37 163.82 39.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB1' ' O ' ' A' ' 38' ' ' THR . . . -85.26 147.89 26.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.751 HD11 ' HB2' ' A' ' 40' ' ' ALA . 32.1 mt -71.04 -41.48 70.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -150.24 171.99 16.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.301 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -140.8 142.98 34.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.987 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.438 ' C ' HG13 ' A' ' 35' ' ' VAL . 34.8 tp60 -158.37 125.84 2.71 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 131.57 14.47 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.433 1.754 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.521 HD21 ' CE1' ' A' ' 98' ' ' PHE . 5.5 mt -68.19 -32.99 73.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.537 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -46.5 111.13 0.34 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' HD13 ' A' ' 54' ' ' LEU . . . 116.03 -38.9 2.9 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 38.7 m-85 -71.39 -173.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 0.781 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.5 m -152.84 167.19 29.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.413 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.609 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.55 156.89 16.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.358 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 t -164.3 151.95 12.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.361 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.784 HD23 HD11 ' A' ' 95' ' ' ILE . 2.7 tm? -76.69 142.03 40.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.503 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.3 p -123.99 148.14 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.0 mtmm -72.6 -69.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.8 t0 71.52 156.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -90.22 -21.34 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -82.39 -48.35 11.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.4 -175.2 2.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.962 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -130.29 -44.09 1.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.325 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.6 t -151.59 34.07 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.006 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -123.44 17.27 9.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 83' ' ' PHE . 2.1 p -149.18 140.98 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.582 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -128.78 174.63 9.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -127.62 145.61 50.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.516 HD13 ' CE1' ' A' ' 98' ' ' PHE . 48.0 tp -95.0 97.98 10.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.9 OUTLIER -81.54 145.78 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -137.4 112.73 9.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 109.624 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp 68.61 8.65 6.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.33 2.56 35.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.19 132.27 55.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.479 0.752 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.1 t -54.67 134.4 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.454 ' HD2' HD23 ' A' ' 73' ' ' LEU . 78.6 t80 -112.31 -30.39 7.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.491 ' CE2' ' NH1' ' A' ' 16' ' ' ARG . 2.4 m-85 -170.9 158.5 5.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.8 t -106.94 157.07 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.559 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 70.3 m-85 -151.73 122.52 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -102.68 145.43 29.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.579 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -106.39 158.04 17.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 109.337 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -51.56 37.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -117.08 -179.92 3.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.75 -57.02 4.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -47.13 -41.23 17.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.574 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 93' ' ' ARG . 22.9 m -56.3 -60.92 2.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.003 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.579 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 0.9 OUTLIER -39.89 -50.94 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -54.64 -43.67 72.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 6.5 mtm180 -59.29 -48.01 83.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.819 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.3 m95 -63.42 -48.78 76.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 108.027 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.784 HD11 HD23 ' A' ' 60' ' ' LEU . 32.2 mt -50.57 -68.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -51.8 -40.45 60.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -57.94 -49.72 75.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.609 ' CB ' HG21 ' A' ' 58' ' ' VAL . 3.4 m-85 -68.25 -45.94 71.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.57 ' O ' HG22 ' A' ' 103' ' ' VAL . 25.7 mm-40 -60.65 -59.28 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.315 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 16.9 mt-10 -55.55 -24.9 34.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.429 1.08 . . . . 0.0 110.278 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.65 -54.48 7.42 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.1 p -56.13 -35.22 66.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.371 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 99' ' ' GLN . 34.8 m -90.82 -166.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.1 t -135.41 17.78 3.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 80.39 -177.66 54.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.548 1.155 . . . . 0.0 111.032 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 81.98 2.1 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.7 m 52.7 88.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -112.76 -57.64 2.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.13 -58.7 1.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.738 . . . . 0.0 109.978 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.91 169.07 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.99 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.68 -178.36 16.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.471 1.107 . . . . 0.0 111.048 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 p -139.35 169.7 17.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.748 . . . . 0.0 110.019 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 m -148.09 -53.48 0.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.73 -100.05 1.08 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.48 1.112 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m -49.08 155.76 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.2 p -63.13 -56.22 18.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.52 150.27 8.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 p -178.4 148.57 0.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.49 161.57 9.36 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.651 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 49.6 m-85 -66.85 134.33 51.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 111.02 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.775 HD11 ' CE2' ' A' ' 94' ' ' TRP . 51.7 mt -136.08 152.62 51.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.455 ' HB3' ' CE3' ' A' ' 24' ' ' TRP . 27.8 m-85 -94.95 113.21 24.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -93.14 139.9 30.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.497 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -142.65 168.17 20.36 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -104.48 22.17 15.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 126.1 -157.99 20.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 24.4 m -87.55 149.9 24.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 0.806 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mtmm 76.88 1.23 3.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -99.69 156.14 35.69 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 153.31 41.72 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.503 1.791 . . . . 0.0 110.987 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.497 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.5 m95 -91.41 158.3 16.59 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' HE2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -135.43 120.01 18.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.651 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 33.8 t-80 -79.4 108.62 13.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.559 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.51 HD11 ' HE2' ' A' ' 25' ' ' LYS . 5.0 mt -136.18 169.76 17.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 44.9 t-105 -109.16 130.37 55.49 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -130.78 135.71 48.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 44.2 t -128.77 154.69 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 68.2 mt -116.03 88.96 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.5 ttmt -117.33 140.85 49.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.81 ' O ' HG23 ' A' ' 35' ' ' VAL . 51.4 t-20 51.61 41.33 28.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 52.62 21.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 33' ' ' ASN . 96.2 t -116.05 127.59 73.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.7 tm? -82.22 94.63 7.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.526 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 52.4 m-85 -80.52 152.09 28.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 87.5 m -106.56 139.55 40.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.583 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 56.0 m-85 -143.63 -176.92 5.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -130.23 -46.13 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.07 165.27 12.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.4 p -70.67 -48.94 52.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -101.64 46.07 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.517 ' OD2' ' CD1' ' A' ' 39' ' ' TYR . 0.5 OUTLIER -58.02 170.36 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.4 -17.27 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -164.26 150.53 11.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.583 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -78.13 141.69 38.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 40' ' ' ALA . 45.2 mt -67.88 -39.5 83.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.258 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -152.65 167.78 27.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.285 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.526 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 1.4 p -142.23 119.69 11.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.687 ' C ' HG13 ' A' ' 35' ' ' VAL . 2.0 mm-40 -134.71 132.12 20.49 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 130.13 13.03 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.456 1.767 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.754 ' O ' HG22 ' A' ' 102' ' ' THR . 14.8 mt -67.14 -20.99 65.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.522 HD23 ' N ' ' A' ' 55' ' ' GLY . 5.1 tt -59.84 127.17 30.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.275 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.522 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 101.43 -42.42 1.92 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.4 ' C ' ' OG1' ' A' ' 57' ' ' THR . 39.8 m-85 -64.51 -177.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 110.983 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.4 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 2.7 m -153.86 170.3 21.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.546 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -147.36 158.5 9.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.264 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.9 t -163.51 141.77 7.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 110.446 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD23 HD11 ' A' ' 95' ' ' ILE . 3.3 tm? -71.35 139.26 49.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.524 HG11 ' HG3' ' A' ' 72' ' ' GLN . 0.8 OUTLIER -123.84 137.64 56.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -43.55 88.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 t70 52.46 176.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.56 -18.46 13.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.255 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -78.46 -42.72 29.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.34 -170.54 2.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -117.41 -36.35 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.256 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.2 t -163.56 30.47 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.409 ' HA ' ' OG1' ' A' ' 91' ' ' THR . 0.1 OUTLIER -113.13 18.03 18.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.44 ' O ' HD22 ' A' ' 60' ' ' LEU . 2.5 p -146.33 143.17 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.8 OUTLIER -132.69 177.75 7.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.97 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.524 ' HG3' HG11 ' A' ' 61' ' ' VAL . 32.7 mt-30 -128.76 145.67 51.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.549 HD13 ' CE1' ' A' ' 98' ' ' PHE . 29.2 tp -93.47 92.96 7.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.726 HD23 ' C ' ' A' ' 78' ' ' MET . 0.5 OUTLIER -78.77 153.27 30.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 76' ' ' LYS . 14.7 t-80 -137.12 104.7 5.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.612 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 75.38 -55.4 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -179.76 35.57 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.439 1.087 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.726 ' C ' HD23 ' A' ' 74' ' ' LEU . 1.3 ptt? -156.78 146.17 20.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 0.737 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.2 t -69.98 139.37 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.348 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 41.8 t80 -115.56 -35.49 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.426 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 3.8 m-85 -167.79 157.39 10.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 83' ' ' PHE . 46.8 t -101.75 160.35 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.402 ' N ' HG12 ' A' ' 82' ' ' VAL . 61.8 m-85 -152.47 124.67 8.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.693 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -93.71 158.84 15.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.72 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -129.7 150.16 51.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.77 -66.68 0.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.31 -178.63 4.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -59.61 -59.16 5.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -40.53 -53.69 2.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.634 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.3 m -51.27 -59.44 4.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.726 HG22 HD11 ' A' ' 95' ' ' ILE . 10.5 m -39.31 -58.51 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -47.12 -43.39 20.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -60.77 -54.26 47.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.775 ' CE2' HD11 ' A' ' 14' ' ' LEU . 75.8 m95 -58.67 -52.85 63.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.726 HD11 HG22 ' A' ' 91' ' ' THR . 72.5 mt -45.4 -66.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.64 -47.22 70.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -49.98 -38.46 37.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.549 ' CE1' HD13 ' A' ' 73' ' ' LEU . 4.4 m-85 -78.92 -36.1 42.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.675 ' O ' HG22 ' A' ' 103' ' ' VAL . 21.8 mm-40 -67.27 -55.49 13.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.406 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 1.5 mt-10 -60.03 -32.14 70.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.51 -57.95 14.39 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.754 HG22 ' O ' ' A' ' 53' ' ' LEU . 40.5 p -54.72 -41.72 70.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 0.76 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.675 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.6 m -88.52 -164.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.2 t -127.49 14.63 7.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.021 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.521 ' H ' HG23 ' A' ' 103' ' ' VAL . . . 82.35 177.14 51.74 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -40.82 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.794 . . . . 0.0 111.013 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.1 p -155.61 109.36 2.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 0.0 110.01 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.5 p -82.02 -33.93 29.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m 62.04 81.47 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 110.045 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -110.45 121.26 44.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.991 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.89 -94.35 0.98 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 t -164.86 122.61 1.64 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 0.748 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 m -140.3 -58.35 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.051 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.67 -108.97 0.41 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.0 m -75.71 166.45 23.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 0.756 . . . . 0.0 110.029 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.5 m -72.46 -56.36 5.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.406 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.6 tpt -153.09 136.34 15.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.41 ' CB ' HG22 ' A' ' 30' ' ' VAL . 91.1 p -171.84 145.01 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.551 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 159.47 153.33 6.81 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.589 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 56.1 m-85 -61.3 128.14 34.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 110.946 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.795 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 7.9 mt -130.38 153.83 48.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -96.59 110.1 22.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 ttp180 -90.81 135.3 33.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -142.79 157.24 44.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.83 18.35 13.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.99 -165.72 23.88 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 m -79.4 170.97 15.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.039 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm 52.06 24.11 2.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -120.58 156.15 56.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.352 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 137.95 22.26 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 110.998 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.5 m95 -79.86 136.27 36.65 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -108.53 115.11 29.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.589 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 6.7 t-80 -79.44 106.6 11.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.584 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -137.62 167.21 22.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.551 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 55.2 t-105 -105.39 142.91 34.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 108.006 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.523 ' CD1' HD11 ' A' ' 36' ' ' LEU . 99.3 m-85 -138.39 149.27 45.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 11' ' ' SER . 8.8 t -139.24 155.34 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -112.94 93.65 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.464 ' HE2' ' CE2' ' A' ' 37' ' ' TYR . 15.8 ttpt -122.33 132.04 54.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.745 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.4 t30 54.22 38.6 29.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.21 25.14 10.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 33' ' ' ASN . 59.5 t -116.59 130.98 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.592 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.0 tm? -89.0 93.53 9.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.464 ' CE2' ' HE2' ' A' ' 32' ' ' LYS . 46.3 m-85 -79.22 149.95 31.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.2 m -100.4 142.47 31.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.379 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 55.2 m-85 -146.9 177.43 9.14 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.884 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -127.34 -45.13 1.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.98 150.83 27.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -43.42 -60.71 1.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.05 53.22 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -54.02 146.02 15.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' H ' HG22 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -54.01 -35.05 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -155.84 176.63 12.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -90.16 145.53 24.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.884 HD11 ' HB2' ' A' ' 40' ' ' ALA . 39.1 mt -74.71 -39.57 61.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -151.07 173.47 14.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.7 131.8 26.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -143.8 115.84 5.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.241 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.0 146.69 32.96 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.511 1.795 . . . . 0.0 111.001 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.4 mt -93.08 39.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.13 108.09 19.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.42 -26.65 14.63 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.562 1.164 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.488 ' CE2' ' CD2' ' A' ' 75' ' ' HIS . 44.7 m-85 -58.08 178.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 0.755 . . . . 0.0 111.006 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.409 ' OG1' ' C ' ' A' ' 56' ' ' PHE . 3.7 m -154.86 169.85 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.363 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.477 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -141.93 159.67 20.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.405 ' N ' ' CG1' ' A' ' 58' ' ' VAL . 1.3 t -171.45 159.91 5.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.884 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.9 OUTLIER -77.86 143.1 38.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.884 ' N ' HD13 ' A' ' 60' ' ' LEU . 5.8 p -120.02 149.94 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -107.79 104.32 13.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -111.95 159.38 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.277 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.3 -23.37 67.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.297 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -92.91 -50.31 5.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.509 ' OG ' HG11 ' A' ' 70' ' ' VAL . 15.8 p -130.08 137.37 50.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.517 ' O ' ' CB ' ' A' ' 68' ' ' SER . 5.4 pt-20 -142.07 58.84 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 67' ' ' GLU . 0.3 OUTLIER 158.72 -25.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 10.2 mttt -103.81 4.83 35.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 83' ' ' PHE . 7.0 p -127.48 140.54 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.6 OUTLIER -129.64 177.55 7.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -131.31 143.96 50.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.546 HD23 ' HD2' ' A' ' 80' ' ' PHE . 64.3 tp -93.87 99.0 11.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -82.81 147.16 28.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.488 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 15.8 t-80 -137.13 97.62 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.625 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.444 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 1.4 mtmp? 83.58 -2.95 1.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.471 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 128.55 -23.08 5.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.29 148.22 22.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 0.769 . . . . 0.0 111.0 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.6 t -73.8 127.67 35.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.546 ' HD2' HD23 ' A' ' 73' ' ' LEU . 35.5 t80 -98.02 -38.28 9.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 6.1 m-85 -164.21 158.85 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 38.0 t -100.53 159.93 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.675 ' O ' HG23 ' A' ' 70' ' ' VAL . 50.5 m-85 -152.62 128.21 10.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -113.03 131.83 55.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.803 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -101.95 154.88 18.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.34 -74.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -99.12 -179.26 4.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -78.62 -53.45 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.94 -37.82 6.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.614 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 67.7 m -64.29 -54.07 39.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.803 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 16.6 m -41.33 -51.6 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 92' ' ' GLN . 19.4 mm100 -54.43 -46.01 73.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.628 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 6.5 mtm180 -56.5 -43.66 79.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.795 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 27.9 m95 -70.04 -49.62 49.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 108.011 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.425 HD11 HD23 ' A' ' 60' ' ' LEU . 31.1 mt -50.76 -68.83 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.344 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -50.62 -41.63 55.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.628 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -56.03 -42.68 76.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.477 ' CB ' HG21 ' A' ' 58' ' ' VAL . 16.8 m-85 -77.82 -39.45 43.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 110.971 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.579 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.0 mm-40 -62.39 -48.07 81.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.262 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.491 ' HA ' HG22 ' A' ' 103' ' ' VAL . 2.6 mt-10 -69.08 -9.56 53.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.29 -41.71 7.82 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 98' ' ' PHE . 60.1 p -74.27 -33.0 63.15 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 0.809 . . . . 0.0 110.411 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.579 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.2 m -90.3 -164.52 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.8 t -132.01 12.14 4.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.978 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 103.86 156.91 24.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.139 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -57.1 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.58 1.831 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 m -61.65 151.83 32.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 t -103.5 93.77 5.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.97 124.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 109.979 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.37 -58.27 2.0 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.041 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.9 115.5 0.41 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.9 m -120.84 125.39 47.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.998 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -136.93 133.97 36.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.021 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.25 -88.89 1.06 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 56.6 m -97.78 144.92 26.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 0.742 . . . . 0.0 110.034 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 m -49.58 -49.18 47.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.373 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.557 ' HB2' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -158.48 153.53 25.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.9 p -172.46 125.4 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.019 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.59 149.98 7.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.452 1.095 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -59.47 127.99 34.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 0.75 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.984 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 2.4 mt -138.25 139.99 39.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.584 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 23.8 m-85 -83.12 114.83 21.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' HA ' ' O ' ' A' ' 82' ' ' VAL . 1.6 ttp180 -102.16 144.37 30.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.8 t -141.12 171.39 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.041 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.55 16.02 26.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 132.82 -159.49 23.51 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.514 1.133 . . . . 0.0 111.007 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 72.9 m -85.83 151.12 24.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 80.25 -3.42 1.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 mmtt -96.88 156.13 36.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 152.18 40.63 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -91.31 141.76 28.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 108.029 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.7 mtmm -139.33 108.49 6.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.584 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -72.46 143.59 48.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.659 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mt -150.02 168.12 24.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.539 ' CE2' ' HA ' ' A' ' 42' ' ' SER . 74.7 t-105 -96.6 126.18 41.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 107.991 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.443 ' HB3' HD21 ' A' ' 36' ' ' LEU . 83.2 m-85 -126.26 145.29 50.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.969 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.5 t -141.88 121.33 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.557 HD12 ' HB2' ' A' ' 10' ' ' MET . 95.7 mt -89.11 89.91 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.82 96.72 3.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.11 -77.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 mttt -143.81 17.61 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 86.9 t -116.15 134.09 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.835 ' HB2' HD21 ' A' ' 53' ' ' LEU . 2.8 tm? -99.91 96.51 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.569 ' CD2' ' HB3' ' A' ' 50' ' ' SER . 43.4 m-85 -86.55 140.96 29.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.3 m -95.02 150.33 20.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 38.7 m-85 -147.86 -170.49 3.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.661 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -126.97 -43.9 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.26 172.63 7.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.539 ' HA ' ' CE2' ' A' ' 28' ' ' TRP . 2.4 t -62.54 -58.38 7.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.045 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -104.05 51.75 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.282 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -53.14 175.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.4 -16.78 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -167.52 145.04 4.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 109.268 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -71.17 141.41 50.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.661 HD11 ' HB2' ' A' ' 40' ' ' ALA . 72.0 mt -70.48 -39.13 74.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -153.91 169.32 23.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.569 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -142.36 127.46 18.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.998 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -144.71 124.65 7.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.499 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 18.4 Cg_endo -75.03 148.63 35.43 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.835 HD21 ' HB2' ' A' ' 36' ' ' LEU . 1.8 mt -92.98 30.25 1.65 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.571 HD22 ' N ' ' A' ' 55' ' ' GLY . 0.9 OUTLIER -87.67 113.83 23.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.571 ' N ' HD22 ' A' ' 54' ' ' LEU . . . 95.67 -34.5 4.84 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.499 ' CE1' ' O ' ' A' ' 52' ' ' PRO . 51.5 m-85 -52.59 179.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.76 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.3 m -154.06 171.56 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.389 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.553 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -144.62 150.63 16.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -157.96 156.05 30.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.127 . . . . 0.0 110.356 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.899 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.1 tm? -87.22 143.49 27.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.899 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -122.9 140.58 46.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.61 -36.04 75.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.453 ' HB2' HG11 ' A' ' 70' ' ' VAL . 25.3 t0 52.51 177.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.57 -16.77 14.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -89.75 -54.64 3.97 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.88 -168.91 1.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -130.43 -44.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.655 ' HA ' HD11 ' A' ' 60' ' ' LEU . 8.2 t -146.97 31.06 0.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HG2' ' HB2' ' A' ' 88' ' ' ALA . 11.0 mttt -124.31 25.48 7.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.453 HG11 ' HB2' ' A' ' 63' ' ' ASP . 6.4 p -149.82 140.14 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.1 p90 -135.22 177.97 7.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -133.57 146.24 50.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.635 HD23 ' HD2' ' A' ' 80' ' ' PHE . 49.2 tp -93.75 98.96 11.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -81.36 147.59 29.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.137 . . . . 0.0 109.323 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.551 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 16.0 t-80 -137.52 109.09 6.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.573 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 6.4 mtpt 67.83 9.27 7.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 113.53 -18.31 20.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -98.83 133.99 42.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 0.761 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 53.6 t -58.19 138.21 19.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.635 ' HD2' HD23 ' A' ' 73' ' ' LEU . 19.2 t80 -108.8 -39.39 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.56 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 17.1 m-85 -170.62 166.98 8.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 16' ' ' ARG . 13.7 t -103.05 161.49 4.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 75.5 m-85 -153.89 126.14 7.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 140.47 39.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -107.42 156.79 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.38 -60.03 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.322 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -122.45 -176.96 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.42 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . . . -69.45 -60.53 2.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -39.56 -40.84 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 91' ' ' THR . 3.7 m -61.3 -55.38 32.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.004 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.682 HG22 HD12 ' A' ' 95' ' ' ILE . 16.5 m -37.64 -54.04 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.432 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -58.33 -47.89 82.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.51 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 10.0 mtm180 -52.49 -49.04 65.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.984 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 69.7 m95 -65.54 -50.51 64.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 108.033 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.682 HD12 HG22 ' A' ' 91' ' ' THR . 26.1 mt -50.94 -66.15 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.81 -38.7 61.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.51 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -62.09 -31.0 71.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.553 ' CB ' HG21 ' A' ' 58' ' ' VAL . 6.3 m-85 -85.28 -33.16 22.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.673 ' O ' HG22 ' A' ' 103' ' ' VAL . 21.2 mm-40 -69.0 -55.54 10.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.28 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -44.38 -39.71 4.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.26 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.1 -65.89 3.09 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 66.3 p -50.31 -44.23 54.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 0.757 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.697 HG23 ' H ' ' A' ' 105' ' ' GLY . 17.5 m -82.9 -161.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 36.7 t -127.81 13.14 6.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.697 ' H ' HG23 ' A' ' 103' ' ' VAL . . . 80.31 -161.36 44.96 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 164.28 33.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.3 m -106.49 106.84 17.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 m -89.39 -57.57 2.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.991 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.553 1.158 . . . . 0.0 111.063 179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 m -150.31 -56.81 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 109.997 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -176.95 168.45 2.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.8 -171.54 46.93 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -135.13 126.17 27.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 0.754 . . . . 0.0 110.042 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.4 m -98.36 82.68 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.962 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 112.6 -126.46 7.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.7 m -56.98 150.57 16.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 0.739 . . . . 0.0 110.032 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 95.3 m -60.71 -58.23 9.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.7 tpt -149.2 123.71 9.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 80.2 p -161.08 160.87 30.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.543 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 141.47 167.13 11.07 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.16 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.634 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 23.6 m-85 -75.46 130.81 39.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 0.759 . . . . 0.0 111.022 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.726 HD11 ' CE2' ' A' ' 94' ' ' TRP . 26.1 mt -132.29 151.56 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -97.89 114.98 27.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.7 ttp180 -99.88 112.53 24.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.548 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 2.1 t -107.23 167.46 9.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.68 30.56 6.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.532 ' O ' HG21 ' A' ' 82' ' ' VAL . . . 156.14 -137.85 5.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.404 ' HB2' ' CE ' ' A' ' 21' ' ' LYS . 14.7 m -105.66 -71.89 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.404 ' CE ' ' HB2' ' A' ' 20' ' ' SER . 0.0 OUTLIER -76.8 2.92 13.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.0 mmtm -69.93 156.06 92.41 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 126.05 9.75 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 111.001 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.548 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 76.3 m95 -70.23 166.23 20.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 108.002 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -136.1 107.64 6.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.634 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 6.7 t-80 -66.12 110.39 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.642 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -137.09 167.98 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.543 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 73.3 t-105 -107.65 139.68 41.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.029 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -136.5 154.43 50.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.112 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.7 t -149.94 141.16 16.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.4 mt -104.37 97.75 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -123.35 136.29 54.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.542 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.7 t30 55.4 33.8 21.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 63.16 21.52 12.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 33' ' ' ASN . 63.4 t -115.18 131.1 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.671 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.0 tm? -87.99 91.8 8.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.495 ' CD1' ' HB3' ' A' ' 50' ' ' SER . 52.9 m-85 -79.26 146.08 33.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.6 m -100.86 155.73 17.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 73.7 m-85 -157.43 -176.58 6.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.696 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -124.7 -45.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.51 155.9 43.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.5 t -62.88 -41.5 99.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -90.96 30.82 1.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' CG ' ' CD1' ' A' ' 39' ' ' TYR . 1.7 p30 -55.7 165.13 0.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.39 -18.58 6.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.98 154.2 15.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -78.54 137.81 38.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.696 HD11 ' HB2' ' A' ' 40' ' ' ALA . 45.0 mt -66.35 -40.26 89.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -149.52 166.89 27.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.495 ' HB3' ' CD1' ' A' ' 37' ' ' TYR . 0.5 OUTLIER -141.44 121.13 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.496 ' C ' HG13 ' A' ' 35' ' ' VAL . 10.8 tp60 -134.99 125.55 17.22 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.79 7.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.492 ' O ' HG22 ' A' ' 102' ' ' THR . 12.4 mt -55.61 -25.25 37.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.574 ' C ' HD13 ' A' ' 54' ' ' LEU . 1.1 tm? -56.74 115.29 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.553 ' N ' HD13 ' A' ' 54' ' ' LEU . . . 109.36 -34.81 5.28 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.674 ' CE2' ' CD2' ' A' ' 75' ' ' HIS . 48.4 m-85 -77.09 -179.68 5.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 0.764 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 58' ' ' VAL . 3.0 m -151.45 175.7 12.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.398 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.569 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -147.04 157.13 10.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.4 t -161.79 152.5 17.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.397 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.869 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.6 tm? -77.43 143.12 38.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.869 ' N ' HD13 ' A' ' 60' ' ' LEU . 1.8 p -124.0 143.77 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.227 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -76.7 -58.95 2.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 t70 65.34 168.08 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.57 -21.4 18.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -88.53 -56.85 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.6 m -95.15 -176.49 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.02 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -134.17 -44.88 0.78 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.648 ' HA ' HD11 ' A' ' 60' ' ' LEU . 7.2 m -156.57 32.05 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -123.63 25.21 8.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.657 HG13 HG13 ' A' ' 61' ' ' VAL . 4.1 p -152.53 148.98 13.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.559 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 8.6 p90 -138.55 173.18 11.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -125.12 145.95 49.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 98' ' ' PHE . 49.9 tp -95.38 97.73 10.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -79.98 146.31 32.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.674 ' CD2' ' CE2' ' A' ' 56' ' ' PHE . 53.3 t-80 -137.19 94.94 3.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 109.572 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 82.2 13.76 0.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 110.96 -25.5 14.2 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.7 mtm -88.41 144.22 26.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 0.731 . . . . 0.0 110.956 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 10.4 t -75.23 133.9 30.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -98.92 -47.54 5.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -159.11 173.98 15.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 19' ' ' GLY . 5.3 t -115.11 121.48 67.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 76.8 m-85 -113.57 122.91 48.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 111.043 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -103.2 141.04 36.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.909 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -106.26 150.5 25.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.0 -71.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -116.62 -175.71 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.05 -53.86 51.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -45.13 -58.09 3.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.617 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 m -45.52 -55.92 5.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.909 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 28.6 m -44.56 -62.74 1.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -44.34 -57.83 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.72 -64.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.726 ' CE2' HD11 ' A' ' 14' ' ' LEU . 59.2 m95 -48.08 -52.96 18.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.644 HD11 HD23 ' A' ' 60' ' ' LEU . 56.1 mt -46.32 -59.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.1 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -57.38 -46.55 83.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.39 -34.73 64.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.672 ' O ' HG23 ' A' ' 102' ' ' THR . 2.8 m-85 -81.1 -28.29 35.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.6 mm-40 -78.54 -54.92 5.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.511 ' HA ' HG22 ' A' ' 103' ' ' VAL . 47.7 mt-10 -58.93 -35.29 72.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.302 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.18 -48.07 74.11 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.54 1.15 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 98' ' ' PHE . 17.8 p -63.82 -40.42 96.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 99' ' ' GLN . 19.7 m -86.33 -162.76 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.6 t -144.36 17.13 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -56.14 -174.15 0.18 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.451 1.094 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 6.3 t -90.82 -58.7 2.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.998 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.06 86.11 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 110.05 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 -179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.41 158.67 29.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.981 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 p -142.78 167.89 21.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.031 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.57 173.59 34.34 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.67 140.3 32.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 0.769 . . . . 0.0 110.0 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.85 130.15 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.43 -88.29 0.11 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.7 m -48.64 147.81 2.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 109.954 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -41.3 -61.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.431 1.082 . . . . 0.0 110.395 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.0 tpt -155.87 119.48 4.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.2 p -145.04 154.81 42.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.482 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 152.1 136.95 2.5 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.531 1.144 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.413 ' HB3' ' NE2' ' A' ' 26' ' ' HIS . 56.2 m-85 -51.23 134.29 27.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.766 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.681 HD11 ' CE2' ' A' ' 94' ' ' TRP . 78.8 mt -136.19 156.17 49.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.529 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 26.5 m-85 -98.83 114.55 27.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.9 ttp85 -92.34 138.19 31.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 110.328 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -144.51 160.17 41.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -114.26 41.63 2.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.33 -174.73 21.09 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.513 1.133 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -75.21 -56.5 4.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 0.797 . . . . 0.0 109.992 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -79.87 50.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -130.67 155.85 80.66 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 152.77 41.21 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.52 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 96.6 m95 -93.41 131.61 38.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HB3' HD12 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -110.93 114.02 27.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 3.1 t-160 -79.46 106.96 11.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.582 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 25' ' ' LYS . 1.6 mt -137.79 169.47 17.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.482 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 56.3 t-105 -104.94 142.81 34.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 108.024 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.83 153.46 49.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.957 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 ' N ' ' A' ' 31' ' ' ILE . 46.6 t -142.48 167.89 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.525 ' N ' HG12 ' A' ' 30' ' ' VAL . 52.4 mt -130.2 89.3 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 3.9 ttmt -113.05 129.23 56.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.6 t30 62.89 24.77 14.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 75.85 6.34 3.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 82.5 t -98.35 131.77 44.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.647 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.7 tm? -85.17 94.42 8.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 57.6 m-85 -81.3 142.53 33.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 48' ' ' LEU . 1.9 m -97.53 149.15 22.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.448 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 68.6 m-85 -151.26 177.21 10.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.857 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -125.12 -44.55 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -111.97 152.33 28.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -45.22 -52.87 8.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -114.18 54.27 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -57.1 146.17 28.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -53.31 -33.64 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -161.44 176.29 11.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.05 139.76 30.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.857 HD11 ' HB2' ' A' ' 40' ' ' ALA . 46.1 mt -69.67 -41.97 74.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -147.54 169.27 19.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.16 135.39 30.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.112 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.417 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 45.9 tp60 -152.99 123.31 3.43 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.95 144.75 30.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.47 1.774 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.741 ' O ' HG22 ' A' ' 102' ' ' THR . 7.0 mt -91.36 40.82 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.252 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.47 ' C ' HD23 ' A' ' 54' ' ' LEU . 7.3 tt -96.67 124.1 40.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.44 -11.62 58.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 75' ' ' HIS . 27.8 m-85 -79.44 -179.95 7.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.1 m -152.89 170.55 20.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.551 HG21 ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.09 151.55 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.458 ' CG2' HD11 ' A' ' 74' ' ' LEU . 4.0 t -161.31 148.72 15.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.375 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.952 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.7 tm? -73.42 143.09 46.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.952 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -123.84 136.17 61.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.0 102.84 14.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -95.62 168.79 10.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -81.98 -49.7 9.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -66.56 -54.18 26.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.94 167.56 10.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.957 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -105.38 -97.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.593 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -101.52 35.32 2.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -106.59 -0.24 23.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -132.5 146.11 33.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.4 p90 -134.94 177.75 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 111.061 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 82' ' ' VAL . 20.1 mt-30 -131.43 142.54 50.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.9 tp -93.96 96.19 9.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -79.87 147.56 31.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 56' ' ' PHE . 11.8 t-80 -136.94 96.45 3.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.602 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 2.8 mtmp? 81.01 2.91 1.64 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 123.89 -26.0 6.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 mtp -88.25 146.16 25.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.479 HG11 ' OE1' ' A' ' 72' ' ' GLN . 42.3 t -75.71 128.57 37.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -95.74 -40.78 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -161.96 167.69 24.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.158 . . . . 0.0 110.98 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.626 HG22 ' HG2' ' A' ' 72' ' ' GLN . 40.2 t -117.85 116.68 52.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 59.6 m-85 -108.08 123.68 49.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.94 133.87 53.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.623 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -108.64 148.04 30.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -59.67 -65.88 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -88.8 168.18 12.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.24 -55.17 5.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -40.21 -54.86 2.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.612 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.3 p -46.76 -53.18 12.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.623 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 29.1 m -44.15 -60.0 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.413 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -53.39 -45.75 69.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 9.9 mtm180 -55.5 -49.99 71.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.363 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.681 ' CE2' HD11 ' A' ' 14' ' ' LEU . 39.9 m95 -64.21 -49.12 73.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 107.986 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.537 HG23 ' CG1' ' A' ' 58' ' ' VAL . 70.7 mt -53.24 -66.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.29 -37.74 56.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -64.49 -37.39 87.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.551 ' HB3' HG21 ' A' ' 58' ' ' VAL . 11.1 m-85 -81.47 -22.38 38.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -82.47 -39.07 23.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.553 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER -78.48 -12.95 60.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.1 -60.72 4.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.741 HG22 ' O ' ' A' ' 53' ' ' LEU . 80.4 p -50.86 -36.86 39.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.77 . . . . 0.0 110.43 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.553 HG22 ' HA ' ' A' ' 100' ' ' GLU . 20.9 m -86.91 -162.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 61.2 m -165.77 95.93 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.998 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -40.97 157.33 0.04 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 67.47 5.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 88.7 p -63.46 136.43 57.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.1 t -134.49 -59.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.015 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -162.51 150.21 13.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.37 122.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.95 -172.02 13.14 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.36 134.16 37.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 0.773 . . . . 0.0 109.985 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.87 143.11 3.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.004 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.76 127.44 8.81 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.6 m 63.13 170.24 0.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 0.743 . . . . 0.0 110.026 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 48.5 m -64.82 -55.18 21.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.64 151.88 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.8 p -168.58 142.91 3.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.039 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.94 161.36 10.61 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.461 1.101 . . . . 0.0 111.01 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -75.29 129.6 37.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.892 HD11 ' CE2' ' A' ' 94' ' ' TRP . 5.0 mt -134.94 144.9 47.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.25 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.578 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 15.4 m-85 -82.96 116.55 22.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.21 124.31 47.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.477 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 42.5 t -119.66 178.94 4.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -119.85 26.85 9.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 147.23 -145.03 13.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.469 1.106 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.8 m -95.2 -67.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mtmm -75.64 53.88 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp -130.7 156.03 80.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 136.8 20.78 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.956 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.477 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 98.7 m95 -83.37 145.26 29.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.132 . . . . 0.0 108.016 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -138.02 107.27 6.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.308 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.578 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -73.45 98.9 2.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.604 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.65 169.02 8.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -101.01 137.05 39.89 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' HB3' HD21 ' A' ' 36' ' ' LEU . 94.8 m-85 -137.92 145.73 42.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 111.002 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.2 t -137.67 123.52 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 52.4 mt -88.81 92.59 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -117.12 136.57 52.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 54.12 30.66 12.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 65.83 22.6 11.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.592 HG13 ' C ' ' A' ' 51' ' ' GLN . 84.7 t -115.91 127.33 73.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.605 HD21 ' HB3' ' A' ' 29' ' ' PHE . 2.9 tm? -82.13 96.84 7.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -85.66 133.07 34.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.0 m -88.94 149.85 23.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 49.1 m-85 -149.51 -172.48 4.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.78 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -131.25 -45.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.44 172.25 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 t -63.39 -48.91 75.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -115.96 61.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -69.59 142.73 53.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.085 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -52.28 -29.18 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -164.03 175.68 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.47 146.15 26.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 40' ' ' ALA . 30.0 mt -71.93 -38.02 69.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -152.09 168.4 25.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.83 136.5 35.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.045 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.592 ' C ' HG13 ' A' ' 35' ' ' VAL . 1.5 mm-40 -155.6 128.42 4.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.471 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.98 128.44 11.5 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.585 ' O ' HG22 ' A' ' 102' ' ' THR . 38.4 mt -67.49 -12.77 61.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 55' ' ' GLY . 3.1 tt -65.67 130.33 42.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 94.37 -26.69 16.37 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.59 ' CZ ' ' OE1' ' A' ' 51' ' ' GLN . 25.4 m-85 -82.83 -177.33 6.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.777 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.524 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.4 m -154.05 176.59 12.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.367 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.626 HG21 ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.19 155.95 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -162.32 156.95 22.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 110.423 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.86 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.8 OUTLIER -83.32 144.33 29.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.337 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.86 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -120.9 145.34 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.15 73.77 6.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.548 ' HB2' HG11 ' A' ' 70' ' ' VAL . 0.7 OUTLIER -53.16 179.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' ASP . 0.9 OUTLIER -37.69 -72.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -119.4 -40.45 2.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.405 ' O ' ' O ' ' A' ' 67' ' ' GLU . 14.6 m -39.47 102.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.001 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 66' ' ' SER . 17.6 mt-10 -46.12 -95.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.729 ' HA ' HD11 ' A' ' 60' ' ' LEU . 2.7 m -124.47 72.23 1.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.982 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -130.36 6.78 4.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.671 HG13 HG13 ' A' ' 61' ' ' VAL . 7.4 p -138.73 142.04 35.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 83' ' ' PHE . 2.5 p90 -135.81 169.01 18.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.645 ' HG2' HG22 ' A' ' 82' ' ' VAL . 29.4 mt-30 -122.88 150.35 43.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.34 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 57' ' ' THR . 57.1 tp -97.83 96.25 8.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.418 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -78.82 148.35 32.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 25.3 t-80 -137.13 95.0 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.601 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 2.7 mtmp? 82.98 -5.06 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.418 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 132.89 -22.55 4.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 28.3 mtt -94.64 141.56 28.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 0.796 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.2 t -69.25 137.74 23.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.472 ' HD2' HD23 ' A' ' 73' ' ' LEU . 20.9 t80 -106.98 -43.15 4.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -162.95 156.15 19.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.645 HG22 ' HG2' ' A' ' 72' ' ' GLN . 14.0 t -100.01 155.74 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.517 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 91.4 m-85 -148.14 132.29 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -111.1 145.26 38.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.8 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -114.69 154.95 27.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.27 -67.84 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -119.91 -169.33 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.66 -44.62 63.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -51.9 -54.47 28.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.577 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 63.1 m -51.83 -57.78 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.996 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.8 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -40.39 -58.02 1.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.368 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -48.8 -51.35 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 -52.06 -54.05 34.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.892 ' CE2' HD11 ' A' ' 14' ' ' LEU . 70.5 m95 -59.86 -51.16 70.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 108.029 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.723 HD11 HD23 ' A' ' 60' ' ' LEU . 17.1 mt -47.43 -68.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.9 -44.25 66.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.81 -30.89 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.698 ' O ' HG23 ' A' ' 102' ' ' THR . 1.9 m-85 -86.92 -27.33 23.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.561 ' O ' HG22 ' A' ' 103' ' ' VAL . 14.4 mm-40 -77.73 -53.17 7.85 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.455 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.3 OUTLIER -56.74 -32.05 65.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.336 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.54 -50.92 45.9 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.698 HG23 ' O ' ' A' ' 98' ' ' PHE . 45.3 p -60.49 -39.77 88.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.408 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.561 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.4 m -87.4 -164.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.1 t -147.11 18.97 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 96.12 -168.57 25.92 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 102.88 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.484 1.781 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.3 t -44.57 -62.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.19 164.89 26.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.973 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.7 m -60.38 -56.85 16.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 176.59 -57.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.16 64.87 0.53 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.6 p -105.42 155.89 18.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 0.803 . . . . 0.0 109.983 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -82.56 150.51 26.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 110.046 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.32 -151.34 17.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.5 m -73.48 161.65 30.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 0.767 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m -47.99 -52.0 21.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.401 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.19 137.22 10.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 111.027 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.1 p -149.51 170.45 18.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.99 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 127.46 143.32 5.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.462 1.101 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -48.27 140.35 7.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.91 171.65 12.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.612 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 23.4 m-85 -125.78 105.17 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -92.38 136.83 32.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.132 . . . . 0.0 110.295 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 21.4 t -138.64 178.75 6.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.468 1.105 . . . . 0.0 109.984 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.65 26.05 9.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.98 -167.26 29.42 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -86.27 -47.33 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 0.746 . . . . 0.0 110.008 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -85.86 40.38 0.85 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.496 1.122 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -127.81 155.71 76.97 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 144.75 30.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -86.67 137.47 32.44 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -107.94 102.83 11.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.612 ' CD2' ' CD1' ' A' ' 15' ' ' TYR . 38.9 m170 -63.21 102.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.611 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 39' ' ' TYR . 0.4 OUTLIER -130.42 170.57 14.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 52.5 t-105 -109.87 140.59 43.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 108.018 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -141.05 143.69 34.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.5 t -134.55 140.95 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.412 ' O ' HG22 ' A' ' 31' ' ' ILE . 64.7 mt -103.24 89.43 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 34' ' ' LYS . 0.6 OUTLIER -77.73 100.74 6.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.24 -79.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' LYS . 29.3 mttt -143.37 17.41 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 92.5 t -115.26 122.49 69.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 36' ' ' LEU . 2.6 tm? -90.74 95.29 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' CE2' ' HB3' ' A' ' 50' ' ' SER . 43.2 m-85 -82.81 159.23 22.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.426 1.079 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' ' 48' ' ' LEU . 6.2 m -106.7 157.94 17.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.548 ' O ' HD23 ' A' ' 27' ' ' LEU . 59.1 m-85 -157.45 -179.03 7.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.871 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -124.78 -44.15 1.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -117.48 176.44 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 95.1 p -63.8 -54.99 26.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.014 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -112.74 61.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -65.29 143.68 57.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -29.8 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -166.36 164.74 17.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.431 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -75.53 148.51 38.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.871 HD11 ' HB2' ' A' ' 40' ' ' ALA . 39.4 mt -76.61 -38.5 54.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -152.7 170.51 20.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.265 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.572 ' HB3' ' CE2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER -139.07 130.4 26.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.016 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.413 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 53.6 tp60 -150.04 123.53 4.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.436 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.04 156.39 42.79 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.472 1.775 . . . . 0.0 110.972 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.611 HD21 ' HB2' ' A' ' 36' ' ' LEU . 3.6 mt -97.15 30.62 2.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.433 ' C ' HD23 ' A' ' 54' ' ' LEU . 7.1 tt -88.56 123.56 33.17 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.22 -27.95 7.16 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -66.56 -177.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' LEU . 5.1 m -154.51 171.3 19.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.621 HG21 ' HB3' ' A' ' 98' ' ' PHE . 1.1 t -147.09 153.48 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -159.91 148.28 17.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.402 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.946 HD22 ' N ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -88.73 137.62 32.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.946 ' N ' HD22 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -119.94 130.35 74.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.24 -37.81 86.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.9 174.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.6 -15.59 11.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.318 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -82.54 -39.82 21.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.62 142.57 29.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.1 . . . . 0.0 110.009 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.17 -173.29 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 60.6 p -39.35 109.99 0.13 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.408 ' HA ' ' OG1' ' A' ' 91' ' ' THR . 3.7 tttt 175.17 -35.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 83' ' ' PHE . 2.0 p -100.26 143.23 14.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.7 OUTLIER -131.81 177.77 7.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.551 ' HG2' HG22 ' A' ' 82' ' ' VAL . 29.3 mt-30 -129.86 146.61 51.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 40.3 tp -93.86 99.25 11.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -82.32 147.89 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.453 ' CE1' ' HD3' ' A' ' 76' ' ' LYS . 9.8 t-80 -137.2 108.05 6.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.453 ' HD3' ' CE1' ' A' ' 75' ' ' HIS . 3.6 mtpt 68.03 9.77 7.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.87 -24.37 10.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.97 134.87 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 0.779 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 54.8 t -61.16 135.5 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.403 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 47.2 t80 -108.51 -37.23 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.403 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 4.1 m-85 -166.86 172.93 9.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.551 HG22 ' HG2' ' A' ' 72' ' ' GLN . 16.8 t -114.66 156.37 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 50.0 m-85 -147.97 134.54 19.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.8 tttt -123.79 142.99 50.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.26 149.15 34.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.29 -61.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.342 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -107.16 178.25 4.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.86 -45.47 12.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -49.04 -30.26 6.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.565 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 70.7 m -73.05 -41.21 64.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.985 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.467 HG22 ' CD1' ' A' ' 95' ' ' ILE . 25.2 m -45.2 -65.92 0.47 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.402 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -38.74 -53.1 1.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.2 mtm-85 -50.68 -64.03 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.342 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -49.48 -52.08 31.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 107.998 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 91' ' ' THR . 81.7 mt -49.22 -62.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -53.36 -45.15 69.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.74 -47.34 80.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.621 ' HB3' HG21 ' A' ' 58' ' ' VAL . 5.9 m-85 -73.67 -14.36 61.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.611 ' O ' HG22 ' A' ' 103' ' ' VAL . 37.1 mt-30 -89.81 -62.16 1.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -44.95 -33.95 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.72 -70.67 0.96 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.559 1.162 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 53' ' ' LEU . 61.3 p -43.95 -41.19 5.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.417 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 99' ' ' GLN . 27.0 m -87.73 -164.12 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.9 t -151.08 21.2 0.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 109.981 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.66 161.81 11.89 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.499 1.125 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.87 32.45 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.3 t -177.24 -60.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.9 t -86.68 119.24 26.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.112 . . . . 0.0 110.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -47.07 119.83 2.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 109.986 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -124.7 149.23 47.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.2 -159.04 23.44 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m 50.02 89.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 0.773 . . . . 0.0 110.027 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 p -169.37 144.4 3.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.39 -102.75 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.9 m -69.07 166.92 17.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 0.785 . . . . 0.0 110.019 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.8 m -51.17 -59.24 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.38 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 7.4 tpt -143.58 137.33 28.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 98.3 p -168.31 149.26 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.996 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.568 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 150.07 137.45 2.74 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.649 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 36.0 m-85 -41.41 134.9 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 85' ' ' ALA . 43.3 mt -131.12 172.3 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -116.85 101.29 8.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 111.042 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.448 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 9.9 ttt180 -91.87 125.37 36.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.559 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 28.8 t -132.65 166.39 22.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.984 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -108.07 28.18 8.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 150.18 -171.52 30.11 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.992 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -83.74 -45.52 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -88.28 17.38 5.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.4 mmtt -101.6 155.85 35.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 132.12 15.09 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.559 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 90.7 m95 -73.2 158.12 35.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 108.007 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.9 OUTLIER -129.81 108.1 9.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.649 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 15.6 t-80 -71.89 109.77 5.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 mt -140.93 170.37 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 109.284 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.568 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 40.4 t-105 -110.56 140.31 44.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 107.979 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -139.71 150.49 44.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.1 t -135.3 159.77 40.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 57.8 mt -120.54 95.65 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.336 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 ttmm -126.09 134.47 51.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 59.92 24.89 13.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.264 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 69.23 21.21 7.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.167 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 99.4 t -110.75 137.26 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.2 tm? -91.48 91.01 7.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -79.8 153.83 28.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.0 m -105.61 152.83 22.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 69.9 m-85 -155.4 178.67 9.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.88 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -125.46 -45.87 1.78 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -112.58 165.17 12.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t -55.24 -55.43 31.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 109.964 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -113.88 59.95 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.24 146.78 53.76 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.77 -33.47 5.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.74 178.18 6.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -83.45 142.71 30.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.88 HD11 ' HB2' ' A' ' 40' ' ' ALA . 35.6 mt -71.75 -38.67 70.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -151.76 170.37 19.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.336 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.77 140.53 45.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -155.89 114.63 2.19 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.323 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.437 ' O ' ' CE1' ' A' ' 56' ' ' PHE . 18.3 Cg_endo -75.0 148.71 35.65 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 36' ' ' LEU . 6.7 mt -91.21 39.43 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.865 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.5 OUTLIER -87.95 104.32 16.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.118 . . . . 0.0 109.255 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 100.01 -28.13 17.09 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.437 ' CE1' ' O ' ' A' ' 52' ' ' PRO . 49.3 m-85 -56.22 175.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 0.763 . . . . 0.0 111.022 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.402 ' N ' ' O ' ' A' ' 74' ' ' LEU . 4.0 m -154.81 169.2 24.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.688 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -140.81 154.28 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.8 t -161.5 124.78 3.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.412 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 95' ' ' ILE . 3.4 tm? -62.08 141.78 57.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.683 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -123.91 133.51 69.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -102.31 118.63 37.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -109.05 168.52 9.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -28.9 67.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.283 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -100.69 -58.52 1.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.429 ' HB2' HG12 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -91.94 134.25 34.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.02 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -133.66 129.48 36.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.693 ' HA ' HD21 ' A' ' 60' ' ' LEU . 17.7 t 41.74 32.48 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.565 1.165 . . . . 0.0 110.034 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.91 7.42 4.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.431 ' O ' HD22 ' A' ' 60' ' ' LEU . 2.2 p -152.08 134.65 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.474 ' HD1' HG23 ' A' ' 91' ' ' THR . 4.0 p90 -125.36 175.31 7.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.441 ' HG2' HG22 ' A' ' 82' ' ' VAL . 28.6 mt-30 -126.92 152.42 47.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.6 HD23 ' HD2' ' A' ' 80' ' ' PHE . 32.4 tp -103.83 96.76 6.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -78.9 147.15 33.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -137.07 99.7 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.599 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? 78.05 4.43 2.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.5 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 122.0 -27.44 6.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.7 142.56 27.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.2 t -70.34 134.04 30.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.6 ' HD2' HD23 ' A' ' 73' ' ' LEU . 13.4 t80 -99.21 -42.31 7.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.436 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 11.7 m-85 -165.98 160.3 16.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.441 HG22 ' HG2' ' A' ' 72' ' ' GLN . 11.2 t -105.55 114.06 44.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.153 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 48.0 m-85 -105.19 132.39 51.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -127.83 123.51 35.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HA ' HD23 ' A' ' 14' ' ' LEU . . . -84.6 149.52 25.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -40.55 -67.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.61 179.73 4.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.72 -42.3 15.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.425 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 40.8 m170 -53.44 -31.54 45.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 58.4 m -72.82 -42.49 63.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.02 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.884 HG22 HD11 ' A' ' 95' ' ' ILE . 92.4 m -44.5 -61.58 1.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -39.83 -60.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.425 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.1 OUTLIER -48.64 -60.98 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.546 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 59.4 m95 -48.1 -55.44 10.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 107.981 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.884 HD11 HG22 ' A' ' 91' ' ' THR . 56.0 mt -43.78 -64.78 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.137 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -54.08 -43.55 70.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.546 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -49.37 -35.65 19.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.688 ' CB ' HG21 ' A' ' 58' ' ' VAL . 16.6 m-85 -85.11 -42.22 14.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.097 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 103' ' ' VAL . 20.7 mm-40 -62.13 -50.3 72.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.437 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -70.18 -10.55 59.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -80.32 -57.08 3.04 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.466 1.104 . . . . 0.0 110.979 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 98' ' ' PHE . 33.6 p -60.1 -38.91 84.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 0.783 . . . . 0.0 110.406 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 99' ' ' GLN . 20.1 m -84.41 -162.91 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.3 t -148.0 19.27 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -53.42 -170.55 0.04 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -179.54 5.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.429 1.752 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 m 63.9 160.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.7 p -141.77 125.7 17.17 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.513 1.133 . . . . 0.0 110.987 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 t -95.4 169.33 10.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 0.794 . . . . 0.0 109.966 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.28 139.4 30.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.14 -154.41 20.17 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.521 1.138 . . . . 0.0 110.942 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.5 t -174.1 94.03 0.09 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 0.754 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.2 p -143.7 142.52 31.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.09 -151.7 42.65 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.0 m -113.62 167.82 10.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 m -54.33 -64.66 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.397 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.523 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -155.38 154.4 31.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 60.6 p -178.8 168.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.956 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.56 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 134.59 148.4 5.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -60.39 132.88 55.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 0.758 . . . . 0.0 111.008 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.882 HD11 ' CE2' ' A' ' 94' ' ' TRP . 32.9 mt -131.71 177.25 7.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.788 ' CD1' ' CD2' ' A' ' 26' ' ' HIS . 21.1 m-85 -123.96 107.18 11.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.462 ' HD2' ' CZ ' ' A' ' 29' ' ' PHE . 15.2 ttt180 -91.19 107.46 19.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.6 OUTLIER -107.93 177.97 4.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.9 5.15 12.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.74 -150.28 10.69 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.452 1.095 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.02 -56.23 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 110.031 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -80.43 5.56 14.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.09 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -82.43 156.26 68.65 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 137.4 21.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 97.8 m95 -78.99 151.45 31.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 108.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -122.8 103.22 8.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.788 ' CD2' ' CD1' ' A' ' 15' ' ' TYR . 36.8 m170 -67.66 102.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.621 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 mt -132.98 169.95 16.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.56 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 65.4 t-105 -110.22 145.51 37.19 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.462 ' CZ ' ' HD2' ' A' ' 16' ' ' ARG . 75.0 m-85 -141.52 158.33 43.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 110.989 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -150.82 148.61 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 93.5 mt -117.21 90.45 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -49.88 -39.19 38.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -171.38 -53.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' CG ' ' HA2' ' A' ' 101' ' ' GLY . 5.1 mttt -148.99 21.91 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 76.0 t -126.25 119.52 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.603 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.7 tm? -82.43 93.8 7.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -84.99 137.35 33.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 48' ' ' LEU . 1.9 m -91.76 158.66 16.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.415 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 56.4 m-85 -156.95 -174.21 4.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.803 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -129.22 -46.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.422 1.077 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.4 -176.41 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 t -62.51 -74.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -102.09 53.32 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -48.19 149.32 1.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.31 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' H ' HG22 ' A' ' 45' ' ' VAL . 0.9 OUTLIER -55.73 -30.83 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -165.31 164.68 19.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -76.62 144.55 39.46 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.803 HD11 ' HB2' ' A' ' 40' ' ' ALA . 20.1 mt -72.01 -45.37 61.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -143.37 168.83 18.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.357 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.22 123.29 15.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.411 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 60.5 tp60 -144.58 117.38 5.54 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.411 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.1 Cg_endo -74.99 156.77 43.04 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.509 1.794 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.487 HD21 ' HB2' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -100.21 30.31 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 105.19 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 95.71 -26.42 20.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.538 1.149 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.469 ' CZ ' ' CD2' ' A' ' 75' ' ' HIS . 39.7 m-85 -58.36 -179.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.465 ' O ' HD12 ' A' ' 73' ' ' LEU . 5.4 m -155.44 170.46 21.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.414 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.544 HG21 ' CG ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -142.4 155.15 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -164.79 155.13 14.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.389 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.867 HD23 HD11 ' A' ' 95' ' ' ILE . 0.5 OUTLIER -82.23 146.12 29.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.775 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.8 p -124.01 147.97 28.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 0.0 OUTLIER -57.09 -88.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.504 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 12.4 t0 83.07 -2.5 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 9.4 tt0 68.88 120.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.554 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 5.5 t-20 87.3 -44.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.31 106.41 11.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.42 -29.23 23.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.482 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -168.48 45.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.043 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.36 -35.65 5.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.426 HG13 HG13 ' A' ' 61' ' ' VAL . 7.4 p -113.15 140.34 33.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.591 ' CE2' ' CB ' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -133.9 178.36 7.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.164 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.533 ' HG2' HG22 ' A' ' 82' ' ' VAL . 28.4 mt-30 -131.45 152.39 50.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.332 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.604 HD23 ' HD2' ' A' ' 80' ' ' PHE . 61.6 tp -103.91 96.98 7.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -78.25 147.9 34.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.469 ' CD2' ' CZ ' ' A' ' 56' ' ' PHE . 13.0 t-80 -137.16 95.23 3.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 109.591 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 81.13 2.96 1.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.456 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 124.56 -25.8 5.85 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.8 mtt -92.31 138.56 31.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 42.5 t -66.05 138.08 23.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.604 ' HD2' HD23 ' A' ' 73' ' ' LEU . 17.7 t80 -104.42 -41.4 5.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 110.995 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.408 ' CD2' ' NE ' ' A' ' 16' ' ' ARG . 4.5 m-85 -160.36 172.56 17.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.533 HG22 ' HG2' ' A' ' 72' ' ' GLN . 34.3 t -119.19 121.15 65.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.419 1.074 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.591 ' CB ' ' CE2' ' A' ' 71' ' ' PHE . 54.7 m-85 -110.5 122.33 47.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -113.53 135.98 53.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -109.42 153.76 23.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -64.61 -44.61 90.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.47 171.88 7.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.15 -52.11 4.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -48.35 -39.83 23.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.8 m -61.66 -38.63 88.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 110.018 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.539 HG23 ' CD1' ' A' ' 71' ' ' PHE . 21.0 m -52.1 -57.48 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 91' ' ' THR . 17.1 mm-40 -38.66 -52.29 1.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -62.98 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.882 ' CE2' HD11 ' A' ' 14' ' ' LEU . 56.9 m95 -43.46 -51.15 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.867 HD11 HD23 ' A' ' 60' ' ' LEU . 43.8 mt -50.22 -70.43 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.351 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.89 -41.61 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.342 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -55.84 -45.74 78.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.555 ' O ' HG23 ' A' ' 102' ' ' THR . 21.8 m-85 -73.63 -44.91 55.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.715 ' O ' HG22 ' A' ' 103' ' ' VAL . 24.3 mm-40 -61.5 -56.62 18.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.453 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 17.9 mt-10 -52.05 -32.27 33.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' A' ' 34' ' ' LYS . . . -65.0 -63.62 4.06 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.491 1.119 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 98' ' ' PHE . 55.1 p -51.32 -40.25 58.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 0.75 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.888 HG23 ' H ' ' A' ' 105' ' ' GLY . 20.7 m -87.05 -163.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.8 t -113.85 18.34 17.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.888 ' H ' HG23 ' A' ' 103' ' ' VAL . . . 100.67 -157.61 19.3 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.494 1.122 . . . . 0.0 111.064 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -41.44 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.493 1.786 . . . . 0.0 110.957 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 95.6 p -175.59 87.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.978 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.3 m 63.81 168.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.469 1.106 . . . . 0.0 110.981 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 t -106.47 160.48 15.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.36 158.03 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.023 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.07 172.43 6.93 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.55 1.156 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m -135.53 95.55 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 0.766 . . . . 0.0 109.976 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -76.86 94.24 3.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.038 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.65 -175.48 43.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.5 m -44.98 151.06 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.753 . . . . 0.0 109.988 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 94.4 m -53.74 -45.98 70.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.405 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.524 ' HG2' ' CZ3' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -171.4 123.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER -147.0 -74.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.494 ' O ' ' CE3' ' A' ' 28' ' ' TRP . . . 34.28 -147.66 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.431 ' CD2' ' CE3' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -124.18 150.29 45.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 0.762 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.721 HD11 ' CD2' ' A' ' 94' ' ' TRP . 94.6 mt -145.14 171.91 13.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.752 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 23.9 m-85 -122.75 116.16 23.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -91.21 135.17 33.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.5 158.66 43.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.82 14.15 31.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 142.99 -168.19 26.1 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.52 1.137 . . . . 0.0 111.007 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.38 169.23 17.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 0.756 . . . . 0.0 110.028 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 52.82 21.06 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -110.87 156.08 41.34 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 129.57 12.49 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -78.89 133.74 36.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 108.005 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -107.61 103.87 13.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.752 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 35.7 m170 -62.65 100.89 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.596 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 25' ' ' LYS . 1.1 mt -126.75 161.96 26.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.494 ' CE3' ' O ' ' A' ' 12' ' ' GLY . 60.0 t-105 -102.32 141.66 34.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.457 ' CD1' HD11 ' A' ' 36' ' ' LEU . 94.2 m-85 -136.89 147.51 46.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.2 t -137.44 154.38 29.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 26.0 mt -120.49 104.25 15.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 7.7 ttpp -135.4 144.35 46.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 47.2 t30 51.93 28.59 5.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.8 tptt 63.65 36.06 11.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.347 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.654 HG13 ' C ' ' A' ' 51' ' ' GLN . 85.6 t -128.9 135.49 62.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.61 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.7 tm? -88.28 93.06 9.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.566 ' CE2' ' HE3' ' A' ' 32' ' ' LYS . 42.7 m-85 -79.31 145.49 33.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.418 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 35.4 m -99.51 152.29 20.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.437 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.729 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 71.5 m-85 -157.04 178.66 10.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 111.0 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.779 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -120.45 -42.6 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -141.35 167.89 21.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.8 t -77.07 -23.42 51.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 22.7 3.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.262 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.486 ' OD2' ' CD1' ' A' ' 39' ' ' TYR . 3.1 p30 -71.76 157.33 38.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -106.57 -17.24 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -159.14 147.21 17.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 109.299 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.729 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -70.68 142.66 51.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.582 1.176 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.779 HD11 ' HB2' ' A' ' 40' ' ' ALA . 67.9 mt -67.66 -38.96 84.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -149.45 165.61 31.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.334 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.96 132.94 31.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 110.036 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.654 ' C ' HG13 ' A' ' 35' ' ' VAL . 19.2 mm100 -148.46 127.99 6.43 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.493 ' HA ' HG22 ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.95 128.34 11.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.461 1.769 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.555 HD21 ' HB2' ' A' ' 36' ' ' LEU . 14.2 mt -67.32 -32.98 74.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.53 102.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.42 30.71 2.17 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.042 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.558 ' CD2' ' HB2' ' A' ' 75' ' ' HIS . 26.6 m-85 -139.74 -171.91 3.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 0.791 . . . . 0.0 110.963 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 74' ' ' LEU . 6.9 m -155.98 171.66 19.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.368 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' A' ' 99' ' ' GLN . 0.4 OUTLIER -146.48 159.62 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.413 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.4 t -168.21 162.22 12.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.425 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.778 HD13 ' N ' ' A' ' 61' ' ' VAL . 0.3 OUTLIER -85.12 140.77 30.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.778 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -121.62 137.48 55.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -50.74 -55.4 16.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.62 -170.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.266 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.21 -74.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 66' ' ' SER . 2.7 t-20 -125.36 -42.47 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.472 ' HB2' HG12 ' A' ' 70' ' ' VAL . 38.6 m -36.14 101.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.39 -22.08 57.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.513 ' HA ' HD11 ' A' ' 60' ' ' LEU . 4.2 t -167.67 33.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.115 . . . . 0.0 110.024 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.645 ' HG2' ' HB2' ' A' ' 88' ' ' ALA . 15.6 mttm -112.2 11.37 20.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.472 HG12 ' HB2' ' A' ' 66' ' ' SER . 7.4 p -156.61 154.44 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.546 ' HA ' HG12 ' A' ' 61' ' ' VAL . 1.3 p90 -146.21 177.03 9.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.743 ' HG2' HG22 ' A' ' 82' ' ' VAL . 20.6 mt-30 -127.01 154.86 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.474 HD22 ' HE2' ' A' ' 83' ' ' PHE . 18.3 tp -103.54 96.04 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.584 1.177 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -78.98 147.62 32.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.558 ' HB2' ' CD2' ' A' ' 56' ' ' PHE . 28.7 t-80 -136.21 95.65 3.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.582 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.423 ' HD2' ' CE1' ' A' ' 75' ' ' HIS . 4.6 mtpt 80.77 2.58 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.337 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.434 ' O ' HD23 ' A' ' 74' ' ' LEU . . . 124.14 -23.9 6.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.77 141.34 28.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.409 HG11 ' OE1' ' A' ' 72' ' ' GLN . 55.0 t -68.81 138.47 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.455 ' HD2' HD23 ' A' ' 73' ' ' LEU . 33.7 t80 -108.29 -38.22 5.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.462 ' CE2' ' NH1' ' A' ' 16' ' ' ARG . 3.7 m-85 -166.34 167.33 15.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.743 HG22 ' HG2' ' A' ' 72' ' ' GLN . 83.9 t -113.21 111.48 36.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 29.0 m-85 -104.46 124.84 49.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.97 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.7 tttm -112.6 134.77 53.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.69 150.15 21.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.26 -63.72 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.82 -178.28 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.645 ' HB2' ' HG2' ' A' ' 69' ' ' LYS . . . -80.42 -48.63 12.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -48.91 -38.37 22.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.614 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 m -62.51 -48.18 80.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.977 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.0 m -39.25 -65.21 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.349 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -44.14 -53.36 6.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -50.57 -60.72 2.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.721 ' CD2' HD11 ' A' ' 14' ' ' LEU . 69.1 m95 -50.26 -54.31 22.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 108.016 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.486 HG23 ' CG1' ' A' ' 58' ' ' VAL . 18.9 mt -45.43 -64.32 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -53.61 -44.5 69.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -52.57 -48.24 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.774 ' O ' HG23 ' A' ' 102' ' ' THR . 15.8 m-85 -70.2 -41.01 74.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 103' ' ' VAL . 7.3 mm-40 -58.5 -58.37 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 11.5 mt-10 -59.32 -34.28 72.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.15 -59.67 9.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.774 HG23 ' O ' ' A' ' 98' ' ' PHE . 61.0 p -53.16 -42.56 66.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 110.423 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 99' ' ' GLN . 26.0 m -87.99 -164.94 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.8 t -138.5 13.1 2.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.978 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 125.07 155.79 9.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.559 1.162 . . . . 0.0 110.982 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 58.3 4.87 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.969 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.2 t -178.94 169.28 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.8 m -105.9 128.04 53.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 0.0 110.991 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -86.04 81.63 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.019 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.3 p -98.63 156.24 16.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.981 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.04 173.59 25.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -138.32 115.78 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 110.013 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t 60.43 103.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.23 146.13 4.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.6 m -61.26 143.81 54.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 0.765 . . . . 0.0 109.984 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -40.5 -65.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.358 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.401 ' HG2' ' CE3' ' A' ' 94' ' ' TRP . 5.8 tpt -143.67 129.43 19.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.3 p -158.98 143.81 15.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.056 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.41 155.94 7.56 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.527 1.142 . . . . 0.0 110.966 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -68.81 134.36 49.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 0.801 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.743 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 21.8 mt -134.39 168.29 19.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.726 ' CE1' ' CG ' ' A' ' 26' ' ' HIS . 26.5 m-85 -112.76 116.42 30.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -97.39 128.38 44.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -124.93 173.53 8.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.004 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.42 29.6 7.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.25 -154.51 25.56 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.504 1.128 . . . . 0.0 111.032 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.77 -53.24 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.75 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -80.65 3.26 22.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.0 mmtt -82.45 156.08 68.68 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 150.29 37.65 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.499 1.789 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.9 m95 -87.32 152.85 21.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.004 -1.109 . . . . 0.0 108.004 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.19 110.2 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.726 ' CG ' ' CE1' ' A' ' 15' ' ' TYR . 0.2 OUTLIER -66.25 118.34 9.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.594 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -143.14 163.86 31.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -110.53 139.99 45.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 107.989 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.517 ' CD1' HD11 ' A' ' 36' ' ' LEU . 81.1 m-85 -139.79 157.54 45.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -144.86 152.76 14.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.0 mt -109.77 101.5 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -130.86 132.42 45.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.4 t30 58.51 24.43 11.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 mttt 68.58 33.89 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -126.41 132.34 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.1 tm? -87.05 91.12 8.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -79.65 146.54 32.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.483 ' O ' ' CG ' ' A' ' 39' ' ' TYR . 7.4 m -95.87 160.39 14.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 110.34 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.483 ' CG ' ' O ' ' A' ' 38' ' ' THR . 84.6 m-85 -162.61 171.31 17.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.935 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -117.17 -39.52 3.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -122.34 165.04 16.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -50.44 -64.1 0.91 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.976 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.52 61.82 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -63.35 150.41 43.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -50.61 -31.85 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -170.4 167.28 8.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -71.2 145.25 49.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.935 HD11 ' HB2' ' A' ' 40' ' ' ALA . 70.8 mt -77.23 -36.92 54.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -151.08 177.67 9.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.253 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.54 140.63 33.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -155.14 113.56 2.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 145.66 31.57 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.8 mt -94.98 32.91 1.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.632 HD13 ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER -81.29 110.35 16.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.479 ' N ' HD22 ' A' ' 54' ' ' LEU . . . 93.67 -29.63 8.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.465 ' CE2' ' HB2' ' A' ' 75' ' ' HIS . 31.9 m-85 -52.5 179.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 110.986 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -152.7 170.58 19.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.355 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.648 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -142.76 150.42 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 4.1 t -157.55 149.79 22.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.394 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.915 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.3 tm? -79.5 143.55 34.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.915 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -123.7 132.89 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -89.3 110.18 20.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -109.85 166.58 10.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG2' ' N ' ' A' ' 65' ' ' ASN . 1.6 pt-20 -69.86 -26.18 64.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.412 ' N ' ' HG2' ' A' ' 64' ' ' GLU . 3.0 m-20 -89.41 -63.23 1.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.4 m -105.39 131.89 52.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.46 -36.3 15.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.706 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -147.18 35.16 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.004 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.603 ' HD3' ' HB2' ' A' ' 88' ' ' ALA . 2.1 mttp -123.67 21.94 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' HD22 ' A' ' 60' ' ' LEU . 3.0 p -149.91 136.83 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.534 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 1.3 p90 -131.62 177.2 7.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' HG3' HG11 ' A' ' 61' ' ' VAL . 31.6 mt-30 -133.27 145.43 50.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.331 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.46 HD23 ' HD2' ' A' ' 80' ' ' PHE . 28.8 tp -93.61 97.75 10.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER -80.58 145.86 31.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.554 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.9 OUTLIER -137.13 119.19 15.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.63 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.554 ' CG ' ' O ' ' A' ' 75' ' ' HIS . 0.4 OUTLIER 59.79 13.2 3.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.492 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 110.92 -29.1 9.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 111.038 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.483 ' HG2' ' CG ' ' A' ' 76' ' ' LYS . 5.7 ptp -89.18 140.59 29.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.0 141.39 17.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.46 ' HD2' HD23 ' A' ' 73' ' ' LEU . 15.1 t80 -108.84 -38.77 5.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -165.82 -179.47 5.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 111.032 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 7.5 t -125.65 116.13 45.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.46 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 55.3 m-85 -108.95 138.97 44.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.11 149.27 39.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.721 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -111.18 157.84 19.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -58.84 -64.55 0.9 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -115.01 -179.82 3.74 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.603 ' HB2' ' HD3' ' A' ' 69' ' ' LYS . . . -61.76 -47.61 84.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -51.84 -58.93 5.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.555 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.502 ' HB2' ' HB1' ' A' ' 85' ' ' ALA . 69.1 m -40.3 -57.04 1.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.022 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.721 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 1.2 m -45.06 -60.62 2.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.395 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -49.09 -52.88 23.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 0.1 OUTLIER -55.5 -50.48 69.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.743 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 72.8 m95 -57.84 -47.82 81.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 107.964 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.73 HD11 HD23 ' A' ' 60' ' ' LEU . 61.3 mt -52.45 -71.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -50.75 -36.0 34.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 93' ' ' ARG . . . -62.73 -36.61 83.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.648 ' CB ' HG21 ' A' ' 58' ' ' VAL . 9.8 m-85 -84.44 -34.16 23.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.565 ' O ' HG22 ' A' ' 103' ' ' VAL . 11.5 mm-40 -67.81 -41.17 83.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.531 ' HA ' HG22 ' A' ' 103' ' ' VAL . 3.0 mt-10 -67.52 -27.37 66.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.288 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.25 -52.15 38.38 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 78.8 p -61.83 -44.36 97.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 0.772 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 99' ' ' GLN . 16.3 m -80.89 -161.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 50.0 m -167.14 95.76 0.49 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 110.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -110.9 -172.08 19.65 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 89.36 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.4 165.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.85 -60.11 0.74 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.481 1.113 . . . . 0.0 111.002 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 m -153.66 105.34 2.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.968 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 p -133.77 160.3 38.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.98 63.49 2.42 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.502 1.127 . . . . 0.0 111.035 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -134.19 112.98 11.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 0.741 . . . . 0.0 109.974 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.77 138.03 55.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.46 -136.5 31.97 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -79.94 145.77 32.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 m -38.96 -59.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.87 139.17 26.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.9 p -157.02 113.94 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.995 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.453 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . -171.27 160.55 32.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.424 ' O ' HD23 ' A' ' 14' ' ' LEU . 19.4 m-85 -76.96 134.62 38.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 0.782 . . . . 0.0 111.004 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 8.5 mt -136.95 161.11 36.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.807 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 24.0 m-85 -108.83 123.13 48.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.52 139.3 32.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.56 ' HB3' ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER -141.62 161.87 36.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.001 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 39.52 2.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.99 -179.09 18.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 22' ' ' LYS . 2.0 m -65.8 -77.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 109.993 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mtmm -70.12 57.99 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 20' ' ' SER . 4.2 mmtt -130.03 156.03 79.77 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 136.79 21.02 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.47 1.774 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 17' ' ' SER . 98.7 m95 -81.27 153.97 26.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.023 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.9 mtpp -131.57 109.01 9.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.807 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 36.5 m170 -63.08 110.61 1.88 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.602 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.7 mt -134.36 164.25 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.453 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 43.1 t-105 -119.75 127.7 53.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 107.986 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.582 ' CD1' HD11 ' A' ' 36' ' ' LEU . 88.2 m-85 -122.91 159.97 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 29' ' ' PHE . 3.9 t -151.11 133.7 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.3 mt -95.82 93.94 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.088 . . . . 0.0 109.24 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -86.69 -98.02 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.705 ' O ' HG23 ' A' ' 35' ' ' VAL . 14.0 t-20 -93.09 63.93 3.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 56.37 21.8 5.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.705 HG23 ' O ' ' A' ' 33' ' ' ASN . 92.1 t -115.0 130.56 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 29' ' ' PHE . 3.3 tm? -85.76 93.6 8.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.501 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 23.6 m-85 -81.67 150.05 28.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.942 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.544 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 16.5 m -111.18 156.57 21.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.382 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 47' ' ' ALA . 70.7 m-85 -152.71 178.4 9.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 1.027 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -116.84 -9.59 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 40' ' ' ALA . . . 173.3 -175.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 p -91.98 12.38 22.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.122 . . . . 0.0 110.038 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -112.67 -23.93 9.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.84 141.04 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.8 m -72.81 -27.84 25.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -152.91 -174.97 5.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.544 ' HB1' ' O ' ' A' ' 38' ' ' THR . . . -86.22 141.89 28.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.027 HD11 ' HB2' ' A' ' 40' ' ' ALA . 96.8 mt -68.23 -41.3 81.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -141.27 163.33 33.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.501 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -142.23 130.26 21.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.412 ' NE2' ' HD2' ' A' ' 52' ' ' PRO . 51.5 tp60 -147.39 124.29 5.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.412 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.3 Cg_endo -75.01 121.94 6.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.5 mt -59.09 -25.06 63.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.23 97.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 115.53 35.05 1.34 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.122 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.473 ' CD1' ' HB2' ' A' ' 75' ' ' HIS . 26.4 m-85 -139.84 -173.53 3.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 0.753 . . . . 0.0 111.0 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.5 m -154.1 170.83 20.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.614 HG23 HD12 ' A' ' 73' ' ' LEU . 0.9 OUTLIER -147.12 152.42 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.465 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -155.5 148.62 24.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.482 HD23 HD11 ' A' ' 95' ' ' ILE . 3.1 tm? -78.64 139.57 38.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' A' ' 71' ' ' PHE . 3.8 p -120.61 149.03 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -90.62 -66.65 0.91 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 71.63 159.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.32 -18.06 47.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 110.32 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -90.19 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.095 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.502 ' HB3' HG12 ' A' ' 70' ' ' VAL . 0.2 OUTLIER -89.31 -174.26 4.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 110.03 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -137.46 -46.07 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.6 m -155.49 24.35 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 88' ' ' ALA . 2.8 mttt -112.61 23.59 13.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.606 HG13 HG13 ' A' ' 61' ' ' VAL . 2.9 p -154.07 156.8 4.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.617 ' HA ' HG12 ' A' ' 61' ' ' VAL . 1.0 OUTLIER -148.77 175.33 11.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 110.96 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.482 ' HG2' HG22 ' A' ' 82' ' ' VAL . 30.9 mt-30 -130.09 147.54 51.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.614 HD12 HG23 ' A' ' 58' ' ' VAL . 20.2 tp -97.65 100.03 11.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -83.61 150.78 25.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 76' ' ' LYS . 8.0 t-80 -137.24 94.86 2.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.157 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.561 ' HG3' ' CE1' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 83.69 -2.26 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 130.2 -26.21 4.21 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.7 mtm -90.5 148.0 23.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 0.791 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.5 t -74.85 128.76 36.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.512 ' HD2' HD23 ' A' ' 73' ' ' LEU . 42.3 t80 -99.43 -38.94 8.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.417 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 5.5 m-85 -166.9 157.75 12.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.482 HG22 ' HG2' ' A' ' 72' ' ' GLN . 44.6 t -98.33 157.53 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 54.3 m-85 -152.49 127.96 10.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 111.022 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -111.18 147.33 35.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 90' ' ' SER . . . -116.72 155.34 29.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -45.92 -66.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.16 174.45 6.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 109.272 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' A' ' 69' ' ' LYS . . . -62.61 -46.05 90.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.411 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 1.2 m-70 -50.26 -47.73 55.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.577 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.551 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -53.91 -49.41 68.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.716 HG22 ' CD1' ' A' ' 95' ' ' ILE . 97.8 m -47.52 -61.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -39.2 -52.42 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.411 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.0 OUTLIER -57.06 -55.46 34.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.61 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 75.9 m95 -54.53 -49.69 69.64 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.716 ' CD1' HG22 ' A' ' 91' ' ' THR . 97.3 mt -51.57 -69.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -50.35 -35.71 29.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.56 -36.5 83.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.669 ' O ' HG23 ' A' ' 102' ' ' THR . 15.8 m-85 -83.72 -30.63 26.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.47 ' O ' HG22 ' A' ' 103' ' ' VAL . 21.9 mm-40 -69.24 -49.74 53.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.583 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.2 OUTLIER -68.66 -28.75 67.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.22 -62.49 5.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.669 HG23 ' O ' ' A' ' 98' ' ' PHE . 49.3 p -53.13 -45.48 68.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.773 . . . . 0.0 110.412 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.583 HG22 ' HA ' ' A' ' 100' ' ' GLU . 5.0 m -80.8 -161.45 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 31.4 m -169.05 97.37 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.036 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -105.9 160.2 14.9 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 110.979 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 85.82 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.0 p -44.1 121.51 2.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 92.8 p -121.02 159.45 25.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.421 1.076 . . . . 0.0 110.025 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.48 1.112 . . . . 0.0 110.966 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 p -111.73 -47.91 3.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.8 m -151.44 -61.97 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.45 177.59 15.94 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.55 114.2 1.84 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.99 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 p -74.02 158.05 35.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.79 -104.47 2.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 58.4 m -140.09 162.04 36.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 0.768 . . . . 0.0 109.958 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.1 m -53.08 -63.32 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.387 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.554 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -137.89 166.23 24.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 111.016 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.5 p -177.23 162.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.497 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 130.64 159.61 9.7 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -69.92 124.7 24.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 110.977 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.877 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 3.8 mt -126.96 143.69 51.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.583 ' CE1' ' HB3' ' A' ' 26' ' ' HIS . 0.7 OUTLIER -83.37 112.39 19.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 111.007 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 82' ' ' VAL . 52.3 ttp180 -100.1 108.52 20.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.567 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 0.5 OUTLIER -99.51 -177.42 3.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 110.041 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' CB ' ' HD2' ' A' ' 22' ' ' LYS . 3.2 mttt -129.04 20.49 5.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 163.82 -136.16 4.13 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.522 1.138 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.08 -65.91 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 0.756 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.84 -1.09 23.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' HD2' ' CB ' ' A' ' 18' ' ' LYS . 12.7 mmtt -69.95 156.63 91.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.442 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -75.01 142.4 27.76 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.494 1.787 . . . . 0.0 110.992 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.567 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 81.7 m95 -87.57 142.37 27.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 108.0 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' CE ' ' O ' ' A' ' 23' ' ' PRO . 3.9 mtmt -123.82 101.64 7.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.583 ' HB3' ' CE1' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -71.28 98.74 1.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.597 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mt -112.73 170.64 8.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.497 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.1 t-105 -103.94 134.42 47.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 107.978 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 36' ' ' LEU . 98.4 m-85 -134.6 149.15 50.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -143.38 123.07 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 10' ' ' MET . 92.2 mt -84.91 98.07 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' HB3' ' CD2' ' A' ' 37' ' ' TYR . 0.7 OUTLIER -120.13 133.34 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 60.63 19.8 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 mptt 77.79 14.22 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.588 HG13 ' C ' ' A' ' 51' ' ' GLN . 83.1 t -108.93 132.63 56.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.588 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.0 tm? -82.99 93.33 7.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.508 ' CD2' ' HB3' ' A' ' 32' ' ' LYS . 54.3 m-85 -80.32 147.52 31.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 m -103.07 155.28 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.412 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 67.3 m-85 -155.43 179.17 9.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 111.023 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.891 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -120.99 -40.78 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.86 -175.29 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.9 t -75.23 -48.82 21.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.945 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -117.78 58.01 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -58.52 165.23 2.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 45' ' ' VAL . 0.8 OUTLIER -82.08 -25.18 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -163.55 149.34 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -69.11 134.62 49.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.891 HD11 ' HB2' ' A' ' 40' ' ' ALA . 74.9 mt -62.08 -41.15 97.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -148.73 166.87 27.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 110.296 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.18 124.94 15.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.588 ' C ' HG13 ' A' ' 35' ' ' VAL . 18.3 mm100 -143.65 127.14 9.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.494 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 18.2 Cg_endo -74.98 157.47 42.82 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.505 1.792 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 102' ' ' THR . 14.7 mt -100.46 25.23 7.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.241 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.5 tt -84.91 123.23 30.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.74 -16.88 43.59 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.494 ' CE2' ' O ' ' A' ' 52' ' ' PRO . 53.0 m-85 -74.35 177.02 6.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.2 m -149.02 167.58 25.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 110.355 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.715 ' CG1' HG23 ' A' ' 95' ' ' ILE . 1.0 OUTLIER -144.74 152.72 14.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.1 t -160.67 147.95 15.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.421 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.4 tm? -80.91 142.76 33.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.908 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.0 p -123.92 142.55 40.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -40.79 86.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' N ' HG22 ' A' ' 61' ' ' VAL . 4.1 t70 55.22 168.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -17.26 12.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.238 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -46.48 8.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.92 164.43 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.957 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -126.22 118.54 25.38 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.09 . . . . 0.0 110.261 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.642 ' HA ' HD11 ' A' ' 60' ' ' LEU . 17.1 t 46.83 31.28 1.41 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.006 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.525 ' HE2' ' HB2' ' A' ' 88' ' ' ALA . 16.4 mttt -132.39 12.69 4.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 p -144.23 147.1 19.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.565 ' HA ' HG12 ' A' ' 61' ' ' VAL . 2.4 p90 -138.07 177.87 7.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.592 ' HG2' HG22 ' A' ' 82' ' ' VAL . 29.1 mt-30 -129.78 145.74 51.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.647 HD23 ' HD2' ' A' ' 80' ' ' PHE . 48.1 tp -95.86 99.09 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER -84.22 148.04 26.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.501 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 20.7 t-80 -137.23 95.12 3.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.572 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.0 OUTLIER 87.94 -33.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 163.22 -27.26 0.23 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.31 141.94 28.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 0.721 . . . . 0.0 110.989 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.2 t -66.78 129.17 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.647 ' HD2' HD23 ' A' ' 73' ' ' LEU . 19.2 t80 -93.07 -41.78 9.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 11.5 m-85 -166.43 157.95 13.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.592 HG22 ' HG2' ' A' ' 72' ' ' GLN . 88.5 t -99.91 132.58 45.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.549 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 69.2 m-85 -126.07 131.87 52.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.133 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -117.08 138.64 51.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.752 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -105.77 150.91 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.65 -74.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -94.78 178.48 5.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.525 ' HB2' ' HE2' ' A' ' 69' ' ' LYS . . . -72.36 -61.97 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.451 ' O ' ' CD ' ' A' ' 93' ' ' ARG . 8.3 m170 -39.52 -43.29 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.0 m -55.9 -56.55 19.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.007 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.752 ' OG1' ' HB3' ' A' ' 85' ' ' ALA . 1.3 m -42.43 -52.86 4.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.354 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -56.92 -58.15 9.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.451 ' CD ' ' O ' ' A' ' 89' ' ' HIS . 0.2 OUTLIER -46.44 -47.07 19.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.237 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.877 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 74.9 m95 -60.67 -53.76 53.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 108.019 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.715 HG23 ' CG1' ' A' ' 58' ' ' VAL . 8.8 mt -51.36 -58.3 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -55.01 -40.67 70.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.14 -34.19 77.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.41 ' O ' HG23 ' A' ' 102' ' ' THR . 13.5 m-85 -81.49 -30.01 33.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -73.16 -39.76 65.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.269 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.526 ' HA ' HG22 ' A' ' 103' ' ' VAL . 1.2 pt-20 -78.02 -13.17 59.97 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.311 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -72.11 -44.82 43.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.442 1.088 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 53' ' ' LEU . 22.7 p -65.7 -24.43 66.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 110.368 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.526 HG22 ' HA ' ' A' ' 100' ' ' GLU . 28.7 m -104.92 -168.06 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.8 m -154.81 102.31 2.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.05 -175.9 0.53 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.035 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 148.58 35.71 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.483 1.781 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.61 95.21 1.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.997 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.2 t -170.39 129.26 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.15 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.129 . . . . 0.0 111.052 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.4 124.06 37.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 0.784 . . . . 0.0 110.015 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.0 m -147.84 159.08 44.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.76 78.55 0.62 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -44.79 158.67 0.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 0.763 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.23 120.64 39.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.33 76.25 0.9 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.123 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 51.54 178.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 0.767 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.5 m -44.77 -43.82 8.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 5.1 tpt -157.03 140.82 16.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 81.1 p -169.56 136.31 1.64 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.01 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.545 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 165.74 150.46 6.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 63.8 m-85 -65.1 129.03 38.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 0.772 . . . . 0.0 111.031 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 94' ' ' TRP . 76.4 mt -129.6 150.79 50.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.152 . . . . 0.0 109.285 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -97.78 119.0 35.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -91.27 136.85 32.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.291 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 1.0 OUTLIER -156.53 132.57 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.004 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.04 -36.6 82.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -149.52 -163.09 10.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.557 1.161 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -85.87 -37.93 18.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 0.791 . . . . 0.0 110.015 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtmm -85.82 39.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -129.87 155.51 80.41 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 124.74 8.84 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 97.9 m95 -66.86 135.87 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 108.008 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.0 121.11 41.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.534 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 51.3 t-80 -71.71 120.42 17.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.616 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 39' ' ' TYR . 0.9 OUTLIER -142.64 168.9 18.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.545 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 70.2 t-105 -120.59 137.61 54.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 107.985 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.62 ' HB3' HD21 ' A' ' 36' ' ' LEU . 97.5 m-85 -135.48 158.21 44.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.1 t -150.48 157.5 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 74.2 mt -118.63 89.03 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 3.3 tttp -71.27 -84.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.672 ' O ' HG23 ' A' ' 35' ' ' VAL . 36.2 t-20 -115.51 71.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.346 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.0 mttp 59.49 17.45 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 33' ' ' ASN . 95.8 t -115.09 125.4 72.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 29' ' ' PHE . 2.7 tm? -81.39 91.55 6.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 13.5 m-85 -79.91 132.29 36.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.53 1.144 . . . . 0.0 111.053 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.55 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 3.4 m -90.18 160.64 16.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.719 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 65.0 m-85 -157.99 172.61 18.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 1.013 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -114.77 -11.06 12.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.48 ' HB2' ' O ' ' A' ' 40' ' ' ALA . . . 176.84 172.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 t -82.5 5.84 19.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.135 . . . . 0.0 109.972 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -109.03 -18.73 13.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.781 ' OD2' ' HB3' ' A' ' 40' ' ' ALA . 0.2 OUTLIER -44.88 135.73 5.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.2 m -63.72 -30.15 49.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -154.82 -175.28 5.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.719 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -86.03 135.43 33.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.013 HD11 ' HB2' ' A' ' 40' ' ' ALA . 81.3 mt -61.45 -47.69 84.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -135.07 158.92 43.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.556 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -140.06 132.8 29.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.562 ' C ' HG13 ' A' ' 35' ' ' VAL . 39.3 tp60 -152.71 133.4 7.77 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.404 ' HD2' ' NE2' ' A' ' 51' ' ' GLN . 18.2 Cg_endo -75.06 129.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.5 mt -64.27 -21.09 66.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.547 ' C ' HD13 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -54.42 113.4 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.532 ' N ' HD13 ' A' ' 54' ' ' LEU . . . 112.78 -34.07 5.3 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.484 1.115 . . . . 0.0 110.96 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -75.24 -178.26 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.479 ' O ' HD12 ' A' ' 73' ' ' LEU . 3.5 m -152.63 168.86 24.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.518 HG21 ' CG ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -145.25 152.91 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.437 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -161.26 129.85 4.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.647 HD23 HD11 ' A' ' 95' ' ' ILE . 3.5 tm? -63.14 141.72 58.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.616 ' N ' HD13 ' A' ' 60' ' ' LEU . 2.1 p -123.33 147.05 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -67.45 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.8 t70 68.26 179.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -110.5 -32.51 6.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.326 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -61.94 -66.53 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.5 158.27 41.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.407 ' C ' ' N ' ' A' ' 69' ' ' LYS . 19.4 mt-10 -119.2 145.05 46.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.58 ' HA ' HD21 ' A' ' 60' ' ' LEU . 13.5 m 43.59 27.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.992 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 67' ' ' GLU . 9.9 tttt -121.69 -41.75 2.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 83' ' ' PHE . 1.0 OUTLIER -103.53 145.56 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -131.24 177.82 7.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.562 ' HG2' HG22 ' A' ' 82' ' ' VAL . 26.0 mt-30 -125.91 148.24 49.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 57' ' ' THR . 43.4 tp -99.67 98.22 9.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.8 OUTLIER -82.72 146.68 28.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 29.6 t-80 -136.51 98.76 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.619 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 14.9 mtmt 82.25 -1.97 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.451 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 127.47 -23.66 5.38 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.041 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 25.3 mtt -95.49 142.31 27.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 0.75 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 74.4 t -67.09 128.75 30.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 109.281 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.624 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 62.0 t80 -101.67 -33.12 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.624 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 4.5 m-85 -167.3 169.62 12.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.972 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.562 HG22 ' HG2' ' A' ' 72' ' ' GLN . 21.5 t -118.46 144.93 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.429 ' HB2' ' CE2' ' A' ' 71' ' ' PHE . 61.1 m-85 -136.48 127.06 26.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 85' ' ' ALA . 3.8 tttt -109.82 141.49 42.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . -111.25 143.05 42.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.34 -64.81 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -94.51 174.69 6.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.78 -47.07 10.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 41.0 m-70 -46.92 -50.53 18.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.607 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.03 -51.8 28.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.958 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.457 HG22 HD11 ' A' ' 95' ' ' ILE . 24.2 m -40.76 -68.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.392 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 91' ' ' THR . 22.6 mm-40 -38.52 -58.03 1.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -53.18 36.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.452 ' O ' ' HB3' ' A' ' 97' ' ' ALA . 63.8 m95 -55.02 -53.31 57.4 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.647 HD11 HD23 ' A' ' 60' ' ' LEU . 94.9 mt -46.91 -63.5 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.8 -42.03 71.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -54.15 -49.78 68.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.366 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.518 ' CG ' HG21 ' A' ' 58' ' ' VAL . 7.1 m-85 -68.78 -49.64 56.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.698 ' O ' HG22 ' A' ' 103' ' ' VAL . 18.1 mm-40 -53.97 -56.78 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.437 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 3.5 mt-10 -56.26 -36.64 68.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.0 -55.93 25.31 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.4 p -57.43 -42.31 82.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 0.0 110.358 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 99' ' ' GLN . 21.4 m -86.44 -163.2 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.0 p -145.66 96.57 2.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -82.73 -152.22 10.96 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.36 3.78 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.3 p -141.27 141.48 33.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 21.6 m 55.41 80.72 0.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 O-C-N 124.555 1.159 . . . . 0.0 110.987 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 p -132.63 149.1 52.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.765 . . . . 0.0 109.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.43 115.99 29.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.42 162.74 19.91 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.47 1.106 . . . . 0.0 111.037 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -162.22 117.53 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 0.749 . . . . 0.0 110.002 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.29 -57.27 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.006 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.34 -143.49 7.3 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.132 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 p -119.15 169.19 10.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.6 m -41.18 -41.41 1.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.397 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.543 ' SD ' ' CD2' ' A' ' 94' ' ' TRP . 0.0 OUTLIER -166.82 167.86 14.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.9 p -179.57 126.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.539 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 167.69 178.47 39.78 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.438 ' O ' HD23 ' A' ' 14' ' ' LEU . 42.9 m-85 -88.63 138.32 31.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 0.741 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.532 HD11 ' CD2' ' A' ' 94' ' ' TRP . 78.5 mt -136.64 151.47 49.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.742 ' CE1' ' CD2' ' A' ' 26' ' ' HIS . 30.0 m-85 -94.54 112.79 24.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.46 120.31 32.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.286 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.495 ' HB2' ' CZ3' ' A' ' 24' ' ' TRP . 2.2 m -127.09 155.76 42.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.979 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -98.76 15.29 25.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 160.6 -152.37 23.06 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.549 1.155 . . . . 0.0 111.024 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -96.22 -55.73 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.754 . . . . 0.0 109.996 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -81.79 47.5 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.256 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.8 mmtt -130.46 155.71 80.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 127.63 10.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.526 1.803 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.495 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 95.4 m95 -70.84 154.71 41.59 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -133.98 112.79 11.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.354 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.742 ' CD2' ' CE1' ' A' ' 15' ' ' TYR . 0.8 OUTLIER -75.47 113.64 13.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.633 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.52 166.89 21.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.539 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 70.0 t-105 -104.58 140.31 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 107.984 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -137.92 151.89 48.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.4 t -147.53 125.19 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.357 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 67.1 mt -93.91 110.01 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.52 137.74 44.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 57.54 24.64 10.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.95 25.22 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 85.9 t -117.78 133.57 64.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.626 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.0 tm? -90.0 93.4 9.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -79.22 151.48 31.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.577 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 53.4 m -106.67 159.33 16.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 110.373 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.661 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 67.3 m-85 -160.97 169.24 22.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 1.05 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -111.01 -28.57 8.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -167.16 173.76 8.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.6 t -84.92 -2.59 58.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -9.15 28.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.34 168.04 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.03 -18.1 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.075 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.1 176.39 11.86 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.661 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -82.69 145.82 29.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.05 HD11 ' HB2' ' A' ' 40' ' ' ALA . 96.0 mt -70.98 -33.01 70.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.091 . . . . 0.0 109.229 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -151.75 167.39 28.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.95 123.78 15.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.968 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -145.99 126.52 7.17 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.99 153.5 41.87 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.496 1.787 . . . . 0.0 111.035 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.592 HD21 ' HB2' ' A' ' 36' ' ' LEU . 12.2 mt -96.41 38.76 1.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -94.61 117.93 30.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.01 -11.66 70.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.474 1.109 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 75' ' ' HIS . 39.5 m-85 -81.63 178.1 8.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 110.973 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.8 m -153.94 169.14 24.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.384 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.536 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -144.83 151.19 15.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.242 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 74' ' ' LEU . 5.8 t -162.24 140.36 8.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.392 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.612 HD11 ' O ' ' A' ' 67' ' ' GLU . 2.8 tm? -72.57 141.02 48.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.5 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -124.44 127.77 73.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.56 -8.01 14.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -87.96 6.87 33.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.453 ' OE1' ' CG2' ' A' ' 70' ' ' VAL . 3.6 tt0 -89.06 -61.72 1.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.22 -57.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.72 124.21 37.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.612 ' O ' HD11 ' A' ' 60' ' ' LEU . 3.0 mt-10 -40.79 -92.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.487 ' HA ' HD11 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -110.69 91.53 3.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 110.014 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -164.29 -43.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' CG2' ' OE1' ' A' ' 64' ' ' GLU . 0.6 OUTLIER -107.07 129.85 60.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 71' ' ' PHE . 3.1 p90 -119.44 178.02 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.843 ' HG2' HG22 ' A' ' 82' ' ' VAL . 15.4 mt-30 -125.35 145.6 49.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 110.316 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.457 HD22 ' HE2' ' A' ' 83' ' ' PHE . 62.6 tp -97.04 98.47 10.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 59' ' ' THR . 0.7 OUTLIER -81.31 146.21 30.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 56' ' ' PHE . 18.3 t-80 -136.81 96.96 3.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.614 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.403 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.8 OUTLIER 81.29 6.67 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 116.51 -17.56 13.88 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.8 mtt -100.09 137.14 38.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 0.732 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.471 HG11 ' OE1' ' A' ' 72' ' ' GLN . 55.0 t -64.87 125.07 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.6 ' CE2' ' CD2' ' A' ' 81' ' ' TYR . 67.6 t80 -94.87 -37.69 11.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.6 ' CD2' ' CE2' ' A' ' 80' ' ' PHE . 3.9 m-85 -164.94 167.78 18.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.843 HG22 ' HG2' ' A' ' 72' ' ' GLN . 59.4 t -115.39 127.83 72.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.457 ' HE2' HD22 ' A' ' 73' ' ' LEU . 59.7 m-85 -120.06 130.52 54.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -115.25 132.58 56.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -95.27 157.86 15.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -58.8 -54.6 45.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.45 -172.29 2.12 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.259 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.37 -49.04 6.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -49.37 -32.97 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.635 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.9 m -69.45 -48.38 61.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.956 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.827 HG22 ' CD1' ' A' ' 95' ' ' ILE . 96.4 m -40.32 -63.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.413 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 91' ' ' THR . 30.6 mm-40 -38.85 -48.23 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -58.24 -64.96 0.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.543 ' CD2' ' SD ' ' A' ' 10' ' ' MET . 69.1 m95 -47.76 -49.71 27.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 108.051 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.827 ' CD1' HG22 ' A' ' 91' ' ' THR . 96.9 mt -49.44 -66.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.54 -40.9 63.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -56.3 -39.06 72.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.536 ' CB ' HG21 ' A' ' 58' ' ' VAL . 8.7 m-85 -81.09 -32.24 34.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.502 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.4 mm-40 -71.81 -57.62 4.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.469 ' HA ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -56.08 -22.8 29.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -70.98 -53.39 10.99 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 98' ' ' PHE . 43.5 p -61.7 -41.64 97.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 0.766 . . . . 0.0 110.414 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.638 HG23 ' H ' ' A' ' 105' ' ' GLY . 19.6 m -83.6 -162.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.9 t -129.44 16.47 5.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 103' ' ' VAL . . . 80.82 159.86 22.57 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.561 1.163 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 79.53 2.63 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -172.91 125.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.6 t -88.55 101.41 13.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.44 1.087 . . . . 0.0 111.005 179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.23 151.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.977 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.0 t -111.41 166.3 11.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.43 110.97 0.74 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -128.42 142.54 51.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 0.782 . . . . 0.0 110.002 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.73 -57.11 2.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.974 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.61 -96.87 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 m -49.29 151.5 1.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 0.763 . . . . 0.0 109.997 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.0 m -65.56 -62.6 1.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.2 tpt -146.32 138.16 24.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.4 p -160.35 170.02 21.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.571 ' HA2' ' CH2' ' A' ' 28' ' ' TRP . . . 138.08 176.75 14.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -90.85 140.31 29.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 0.758 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.891 HD11 ' CZ2' ' A' ' 94' ' ' TRP . 9.2 mt -140.48 168.95 18.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 18.4 m-85 -118.57 123.54 45.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.476 ' H ' HD21 ' A' ' 27' ' ' LEU . 8.4 ttp180 -101.19 145.93 28.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.72 166.62 32.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 110.051 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.41 -31.44 13.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 175.81 162.05 26.17 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.496 1.122 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' LYS . 4.6 m -47.92 164.18 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 0.737 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 20' ' ' SER . 15.4 mmtt 80.2 -44.54 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' H ' ' C ' ' A' ' 20' ' ' SER . 4.5 mttp -69.7 156.42 91.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.25 22.79 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.469 1.773 . . . . 0.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' CH2' HG12 ' A' ' 82' ' ' VAL . 92.6 m95 -71.43 137.99 48.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 107.998 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.838 ' HB3' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -93.04 147.5 22.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.544 ' C ' HD13 ' A' ' 27' ' ' LEU . 1.3 t-80 -104.1 114.8 29.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.607 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.924 HD22 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -154.09 173.07 16.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.571 ' CH2' ' HA2' ' A' ' 12' ' ' GLY . 3.6 t-105 -128.62 152.13 48.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.742 ' HE1' HD23 ' A' ' 27' ' ' LEU . 57.5 m-85 -141.71 170.14 16.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 29' ' ' PHE . 29.0 t -154.33 157.13 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 78.6 mt -118.14 89.04 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 8.6 ttpt -80.52 -90.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.794 ' O ' HG23 ' A' ' 35' ' ' VAL . 41.5 t-20 -105.7 71.0 0.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.9 mttt 52.06 22.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 33' ' ' ASN . 78.8 t -116.07 127.74 73.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.345 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.61 HD11 ' CD2' ' A' ' 29' ' ' PHE . 2.3 tm? -84.35 93.89 8.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 40.0 m-85 -86.62 134.78 33.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 m -85.15 155.63 21.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' TRP . 65.8 m-85 -157.23 174.47 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.744 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -117.38 -38.21 3.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.84 173.32 7.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.51 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . 2.5 t -61.17 -56.65 18.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.01 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -111.95 58.34 0.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -58.61 153.4 16.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 45' ' ' VAL . 1.6 m -66.82 -29.56 46.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.72 157.39 26.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -76.48 144.03 40.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.744 HD11 ' HB2' ' A' ' 40' ' ' ALA . 37.0 mt -74.23 -39.55 63.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -149.61 169.59 20.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -140.73 121.56 14.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.983 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -141.07 122.86 9.23 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.0 154.37 42.43 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.55 1.816 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.491 HD21 ' HB2' ' A' ' 36' ' ' LEU . 2.4 mt -98.09 34.37 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.74 110.3 18.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 98.17 -37.05 3.63 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.483 1.114 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.404 ' C ' ' OG1' ' A' ' 57' ' ' THR . 45.2 m-85 -50.94 178.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 0.745 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.7 m -154.89 169.32 24.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.366 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.452 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.54 153.02 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -158.52 130.52 6.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.415 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD22 ' O ' ' A' ' 70' ' ' VAL . 2.7 tm? -68.36 141.07 55.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.641 ' H ' HD22 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -117.26 141.35 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -55.27 -78.28 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t70 65.01 157.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.413 ' C ' ' CD ' ' A' ' 64' ' ' GLU . 4.4 tp10 -103.9 -62.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -48.33 -53.55 17.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.452 ' CB ' HG12 ' A' ' 70' ' ' VAL . 58.0 m -72.68 -67.67 0.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.983 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.65 98.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.245 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 11.6 m 39.3 36.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.0 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.537 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 1.9 ttpm? -134.36 10.6 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.656 ' O ' HD22 ' A' ' 60' ' ' LEU . 3.1 p -139.42 152.81 23.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' ' HB3' ' A' ' 83' ' ' PHE . 1.1 p90 -140.74 169.55 17.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -123.23 147.51 46.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.532 HD23 ' HD2' ' A' ' 80' ' ' PHE . 62.1 tp -97.81 100.65 12.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.444 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER -83.46 149.38 26.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 30.7 t-80 -137.18 94.66 2.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.616 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.1 OUTLIER 86.96 -19.43 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.321 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.444 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 147.16 -21.92 1.57 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.82 143.69 26.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 0.76 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 28.8 t -67.07 137.62 24.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.532 ' HD2' HD23 ' A' ' 73' ' ' LEU . 28.6 t80 -104.94 -42.79 5.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -161.29 160.56 29.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.425 HG12 ' CH2' ' A' ' 24' ' ' TRP . 19.1 t -104.0 113.79 41.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.37 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.555 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 38.0 m-85 -104.32 126.83 51.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.412 ' HG2' ' N ' ' A' ' 85' ' ' ALA . 2.3 ttmt -118.23 139.56 51.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.412 ' N ' ' HG2' ' A' ' 84' ' ' LYS . . . -104.38 157.01 17.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.5 -63.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.318 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.5 m-20 -104.02 158.58 16.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.61 -54.93 41.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -41.54 -51.77 3.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.143 . . . . 0.0 109.593 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 69.8 m -48.89 -52.0 26.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.995 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.585 HG22 HD11 ' A' ' 95' ' ' ILE . 23.8 m -39.03 -69.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.365 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -41.53 -58.61 1.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.312 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -44.53 -59.94 2.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.891 ' CZ2' HD11 ' A' ' 14' ' ' LEU . 73.5 m95 -51.56 -58.03 7.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.035 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.585 HD11 HG22 ' A' ' 91' ' ' THR . 22.0 mt -41.47 -67.02 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.15 -42.75 66.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -54.73 -43.44 72.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.167 . . . . 0.0 109.313 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.452 ' CB ' HG21 ' A' ' 58' ' ' VAL . 5.9 m-85 -75.94 -34.26 59.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.704 ' O ' HG22 ' A' ' 103' ' ' VAL . 17.0 mm-40 -67.03 -58.5 4.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.329 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.415 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 17.8 mt-10 -52.81 -23.94 7.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.99 -51.24 7.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.516 1.135 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.8 p -62.65 -31.29 72.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 110.371 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 99' ' ' GLN . 34.1 m -96.94 -166.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.5 m -150.21 97.51 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.0 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -66.48 157.17 50.26 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.468 1.105 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 55.97 4.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 48.6 m -109.27 116.29 31.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 110.0 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.0 t -120.64 -57.42 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.015 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -77.93 143.99 37.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 0.77 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 t -162.56 133.68 5.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.964 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.78 122.72 4.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.54 115.1 20.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 109.964 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -105.08 -58.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.9 -144.17 15.12 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.3 m -73.49 162.63 29.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 110.006 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.0 m -41.9 -73.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 6.4 tpt -139.13 148.71 43.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -171.11 165.76 7.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.996 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.477 ' HA2' ' CZ3' ' A' ' 28' ' ' TRP . . . 138.16 147.89 5.26 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.56 1.163 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.516 ' CD1' ' NE2' ' A' ' 26' ' ' HIS . 21.2 m-85 -63.77 139.44 58.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.745 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.084 HD11 ' CE2' ' A' ' 94' ' ' TRP . 39.7 mt -141.4 -176.68 4.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -131.39 118.85 20.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 4.0 ttm180 -92.52 118.41 30.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 82' ' ' VAL . 3.1 m -124.9 129.23 49.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.953 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.79 -8.88 55.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 1.106 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -165.7 -148.39 5.5 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.22 -53.35 2.69 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 0.742 . . . . 0.0 109.946 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -72.57 -5.37 36.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -80.19 156.15 74.26 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.52 12.38 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.51 1.795 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.57 ' CZ3' ' HB2' ' A' ' 17' ' ' SER . 96.3 m95 -69.13 157.97 35.81 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -133.25 120.03 20.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.516 ' NE2' ' CD1' ' A' ' 13' ' ' TYR . 16.3 t-80 -72.0 117.47 13.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.579 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 mt -144.5 170.33 16.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.477 ' CZ3' ' HA2' ' A' ' 12' ' ' GLY . 59.1 t-105 -118.36 141.01 48.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.532 ' CD1' HD11 ' A' ' 36' ' ' LEU . 92.5 m-85 -136.62 158.42 44.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' A' ' 31' ' ' ILE . 37.1 t -152.26 161.84 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.439 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 44.9 mt -124.87 91.62 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.112 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 33' ' ' ASN . 1.5 ttpt -80.62 -89.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 1.01 ' O ' HG23 ' A' ' 35' ' ' VAL . 15.9 t30 -102.18 78.8 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.3 mttt 42.73 31.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.128 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.01 HG23 ' O ' ' A' ' 33' ' ' ASN . 88.4 t -130.19 127.47 63.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.532 HD11 ' CD1' ' A' ' 29' ' ' PHE . 3.4 tm? -82.05 96.71 7.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 25.4 m-85 -85.28 127.19 34.23 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.532 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 2.4 m -83.66 157.46 22.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -154.37 -172.76 4.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.787 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -129.08 -44.93 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -113.25 -175.61 2.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.2 t -71.93 -52.1 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 110.057 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -116.68 60.02 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -64.96 146.38 55.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -54.83 -33.33 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -156.67 -179.76 8.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 38' ' ' THR . . . -94.78 145.34 24.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.787 HD11 ' HB2' ' A' ' 40' ' ' ALA . 32.8 mt -70.94 -41.42 71.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -146.21 165.71 28.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.453 ' HB3' ' CE1' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -141.68 134.19 28.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 110.025 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.494 ' C ' HG13 ' A' ' 35' ' ' VAL . 38.6 tp60 -155.12 132.86 6.58 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.05 156.09 42.74 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.483 HD21 ' HB2' ' A' ' 36' ' ' LEU . 9.2 mt -100.28 16.96 22.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' C ' HD23 ' A' ' 54' ' ' LEU . 6.8 tt -76.7 124.04 27.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' N ' HD23 ' A' ' 54' ' ' LEU . . . 89.43 -30.68 5.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.027 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -63.73 176.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 0.773 . . . . 0.0 111.017 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.2 m -150.13 171.07 17.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.437 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.475 HG21 ' CB ' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -143.23 153.47 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.271 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.403 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.3 t -160.87 140.51 10.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.391 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.946 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.5 tm? -72.84 140.49 47.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.946 ' N ' HD13 ' A' ' 60' ' ' LEU . 7.3 p -124.63 140.2 48.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 63' ' ' ASP . 0.1 OUTLIER -101.71 12.31 37.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.899 ' H ' HG22 ' A' ' 61' ' ' VAL . 11.0 p-10 -38.2 131.77 1.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.351 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 0.4 OUTLIER 82.65 -53.69 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 3.3 m-20 155.42 -22.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.097 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' ASN . 49.4 m -37.45 130.06 0.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 110.04 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.87 109.68 22.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.642 ' HA ' HD21 ' A' ' 60' ' ' LEU . 6.4 m 39.2 39.1 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.133 . . . . 0.0 109.978 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -112.29 -14.06 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.42 HG12 ' CB ' ' A' ' 66' ' ' SER . 1.4 p -142.75 146.01 22.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.702 ' CD1' HG23 ' A' ' 91' ' ' THR . 2.4 p90 -136.63 178.1 7.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -128.3 153.31 47.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.297 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.504 HD23 ' HD2' ' A' ' 80' ' ' PHE . 58.2 tp -102.46 101.73 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.423 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -84.17 148.84 26.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 14.6 t-80 -137.22 96.28 3.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.7 OUTLIER 82.01 0.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.423 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 125.19 -22.33 6.32 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.4 mtp -95.45 143.08 27.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 0.77 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 79.6 t -67.44 125.56 25.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.507 ' O ' ' CG ' ' A' ' 81' ' ' TYR . 35.6 t80 -97.48 -34.86 10.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.507 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 8.8 m-85 -170.71 156.67 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 17' ' ' SER . 21.2 t -100.79 154.98 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 58.4 m-85 -150.7 126.4 10.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -112.89 148.55 34.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.722 ' HB3' ' OG1' ' A' ' 91' ' ' THR . . . -118.31 145.29 45.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.79 -61.17 1.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.71 169.08 9.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -72.53 -49.06 35.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -48.51 -35.21 12.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.574 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.5 m -67.69 -48.12 67.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.824 HG22 HD11 ' A' ' 95' ' ' ILE . 98.9 m -47.09 -58.98 3.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.422 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.493 ' HA ' HD12 ' A' ' 95' ' ' ILE . 32.0 mm-40 -39.77 -44.33 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.6 mtt-85 -59.17 -66.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.084 ' CE2' HD11 ' A' ' 14' ' ' LEU . 35.7 m95 -46.53 -45.69 18.76 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.824 HD11 HG22 ' A' ' 91' ' ' THR . 93.5 mt -52.01 -71.38 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -47.13 -44.13 21.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.54 -37.24 70.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.475 ' CB ' HG21 ' A' ' 58' ' ' VAL . 11.7 m-85 -83.18 -30.16 28.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.601 ' O ' HG22 ' A' ' 103' ' ' VAL . 49.6 mt-30 -73.49 -57.8 3.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.43 ' HA ' ' CG2' ' A' ' 103' ' ' VAL . 0.8 OUTLIER -50.98 -34.87 30.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.1 -59.22 8.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.11 . . . . 0.0 110.993 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 98' ' ' PHE . 25.2 p -53.56 -42.4 67.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.796 . . . . 0.0 110.403 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 99' ' ' GLN . 20.1 m -84.29 -162.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.4 m -155.45 97.83 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.985 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 52.9 -173.52 0.33 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.123 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -41.17 0.7 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.474 1.776 . . . . 0.0 111.03 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.5 p -135.54 -53.16 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.041 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 4.7 t -161.68 97.13 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.544 1.152 . . . . 0.0 111.012 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.79 134.05 51.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 109.972 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.3 t -95.7 101.83 13.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.62 -125.27 8.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.0 t 73.29 -59.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 0.744 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.05 168.03 9.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.997 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.74 -76.15 0.57 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.5 m -52.73 164.74 0.33 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.523 0.778 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 39.0 m -75.28 -60.98 2.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 0.0 110.354 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 8.3 tpt -144.79 121.8 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -151.38 145.85 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 155.04 135.66 2.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.775 ' CD1' ' CE1' ' A' ' 26' ' ' HIS . 13.3 m-85 -49.81 138.86 14.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 0.767 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.906 HD11 ' CE2' ' A' ' 94' ' ' TRP . 69.6 mt -139.85 160.31 40.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -107.32 112.86 25.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 0.3 OUTLIER -92.73 138.52 31.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.46 ' HB2' ' CE3' ' A' ' 24' ' ' TRP . 16.3 t -148.81 167.26 26.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.042 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -112.24 29.97 7.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 148.63 176.85 22.38 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -74.48 -47.74 31.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.565 0.803 . . . . 0.0 110.039 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -83.08 45.09 0.98 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -130.81 155.77 80.91 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.54 15.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.462 1.769 . . . . 0.0 111.024 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.46 ' CE3' ' HB2' ' A' ' 17' ' ' SER . 97.1 m95 -77.3 156.92 31.01 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.4 mttt -137.96 113.72 9.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.775 ' CE1' ' CD1' ' A' ' 13' ' ' TYR . 36.1 t-80 -68.65 101.84 1.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.55 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.9 mt -123.98 167.93 13.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.248 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -109.75 141.73 41.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 108.016 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.52 155.55 46.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 110.957 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 78.3 t -148.46 153.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 44.3 mt -115.59 115.97 50.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -143.16 138.46 29.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' VAL . 62.0 t30 54.91 30.68 14.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.8 mttt 65.25 23.51 12.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 33' ' ' ASN . 46.4 t -116.7 142.76 29.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD13 ' C ' ' A' ' 36' ' ' LEU . 3.1 tm? -97.89 102.33 14.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -89.89 135.2 33.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 m -92.28 152.4 19.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 47' ' ' ALA . 58.8 m-85 -152.58 -176.65 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.06 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.848 ' HB2' HD11 ' A' ' 48' ' ' LEU . . . -118.61 -40.14 2.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' O ' ' OD2' ' A' ' 44' ' ' ASP . . . -148.76 -162.19 1.5 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.8 t -106.05 -1.84 23.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 44' ' ' ASP . 1.8 tp10 -101.3 -15.6 17.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 110.34 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -40.96 161.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.277 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.9 -15.14 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -160.11 175.04 13.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 39' ' ' TYR . . . -87.45 140.4 29.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.848 HD11 ' HB2' ' A' ' 40' ' ' ALA . 76.7 mt -67.31 -41.36 85.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -148.83 167.85 24.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.308 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.03 132.79 30.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -146.44 119.19 5.02 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.439 ' HA ' ' HA ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.97 149.92 37.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.455 1.766 . . . . 0.0 110.971 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 mt -97.59 37.91 1.33 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -89.8 106.56 18.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 96.63 -19.93 52.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.412 ' C ' ' OG1' ' A' ' 57' ' ' THR . 32.9 m-85 -64.48 -177.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 0.797 . . . . 0.0 110.984 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.492 ' O ' HD12 ' A' ' 73' ' ' LEU . 7.3 m -156.56 172.7 18.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.654 HG21 ' HB3' ' A' ' 98' ' ' PHE . 0.9 OUTLIER -146.97 151.07 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.401 ' CG2' HD11 ' A' ' 74' ' ' LEU . 1.5 t -157.84 142.7 16.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.397 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.945 HD13 ' N ' ' A' ' 61' ' ' VAL . 1.6 tm? -73.62 141.9 46.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.945 ' N ' HD13 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -124.04 137.72 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 ttpt -103.16 117.31 34.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -106.77 -73.45 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.55 ' O ' ' CB ' ' A' ' 65' ' ' ASN . 11.1 pt-20 177.05 117.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.316 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.55 ' CB ' ' O ' ' A' ' 64' ' ' GLU . 4.5 t-20 86.13 -44.72 0.05 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 11.6 p -42.54 -72.53 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.04 76.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.721 ' HA ' HD21 ' A' ' 60' ' ' LEU . 68.5 m 62.48 35.21 14.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.027 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.774 ' HE2' ' HB2' ' A' ' 88' ' ' ALA . 16.1 mttt -109.44 -19.36 13.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 p -127.39 144.64 36.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.633 ' HA ' HG12 ' A' ' 61' ' ' VAL . 1.4 p90 -135.84 177.72 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.585 ' HG3' HG11 ' A' ' 61' ' ' VAL . 31.3 mt-30 -129.65 155.16 46.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 57' ' ' THR . 56.7 tp -105.64 98.23 7.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 77' ' ' GLY . 0.7 OUTLIER -80.63 146.92 30.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' A' ' 76' ' ' LYS . 16.1 t-80 -137.09 95.73 3.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.556 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 75' ' ' HIS . 0.5 OUTLIER 82.37 3.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.489 ' O ' ' CD2' ' A' ' 74' ' ' LEU . . . 122.44 -25.1 6.7 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.84 143.97 25.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.52 133.48 31.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.459 ' HD2' HD23 ' A' ' 73' ' ' LEU . 28.2 t80 -101.59 -37.78 8.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -163.9 165.09 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 6.8 t -114.96 117.08 54.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.315 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 55.8 m-85 -110.59 123.14 49.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 53.8 tttt -106.67 153.98 21.61 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.364 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 69' ' ' LYS . . . -126.18 156.21 40.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.92 -48.99 19.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -101.88 163.4 12.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.774 ' HB2' ' HE2' ' A' ' 69' ' ' LYS . . . -83.63 -58.0 2.99 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -42.16 -39.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.615 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.1 m -60.69 -48.11 83.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.014 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.413 HG22 HD11 ' A' ' 95' ' ' ILE . 16.0 m -43.64 -56.11 3.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.407 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -49.25 -40.4 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.275 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.445 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 5.0 mtt180 -63.91 -50.97 66.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.906 ' CE2' HD11 ' A' ' 14' ' ' LEU . 23.5 m95 -60.51 -44.58 95.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 108.011 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 60' ' ' LEU . 76.6 mt -56.8 -66.55 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -53.89 -32.95 55.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' A' ' 93' ' ' ARG . . . -68.25 -37.71 81.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.654 ' HB3' HG21 ' A' ' 58' ' ' VAL . 3.7 m-85 -82.21 -26.33 33.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -78.44 -59.24 2.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.321 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.641 ' HA ' HG12 ' A' ' 103' ' ' VAL . 1.5 mt-10 -46.99 -28.16 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.82 -61.86 4.68 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 98' ' ' PHE . 38.3 p -57.16 -26.08 59.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.774 . . . . 0.0 110.45 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.765 HG22 ' H ' ' A' ' 104' ' ' SER . 4.8 p -102.13 -177.81 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.765 ' H ' HG22 ' A' ' 103' ' ' VAL . 10.6 t -133.02 18.42 4.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.99 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 54.24 -146.44 24.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 112.84 3.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.551 1.816 . . . . 0.0 111.022 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.2 m -120.4 162.9 18.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.2 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 179.999 . . . . . . . . 0 0 . 1 stop_ save_